1-(4-(3-ETHYL-7-(MORPHOLIN-4-YL)-3H-(1,2,3)TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-3-(4-((4-METHYLPIP…
Also: N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)UREA, PKI-402…
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- fedf09a5-af7c-46a8-a1b0-e111077f37fb
- Version
- 6
- UNII
- A5XSH56P2N
- Codes
- Uuid
- 911f20db-92a9-4d19-8abb-9368475613d0
- Code
- 1173204-81-3
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=1173204-81-3
- Code system
- CAS
- References
- 04d1b4ba-1cfa-4766-a3da-a02397ee5555, a855ecb7-78ea-48d5-8110-6e44226226a1
- Uuid
- 1fa70ead-ff2f-43ec-ab66-2f3dccae38b7
- Code
- 44187953
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/44187953
- Code system
- PUBCHEM
- References
- 04d1b4ba-1cfa-4766-a3da-a02397ee5555
- Uuid
- 695ce45f-4735-4840-a477-fd74d9f5dbf0
- Code
- A5XSH56P2N
- Type
- PRIMARY
- Code system
- FDA UNII
- Uuid
- 442ef9ed-8df8-599a-d5b3-879b418cc718
- Code
- DTXSID30657809
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID30657809
- Code system
- EPA CompTox
- Relationships
- Uuid
- 716845fb-1a9a-4a8e-a8f6-88dbe01eb0fc
- Type
- ACTIVE MOIETY
- Amount
- Uuid
- 930ff1ec-fab5-4ad6-ba29-8339dac4d70b
- Related substance
- Uuid
- 66a5490f-7ef7-4cab-87b4-45674f86fe10
- Refuuid
- fedf09a5-af7c-46a8-a1b0-e111077f37fb
- Name
- PKI-402
- UNII
- A5XSH56P2N
- Linking ID
- A5XSH56P2N
- Ref pname
- PKI-402
- Substance class
- reference
- Uuid
- 0329eeca-ee7b-4e22-a015-2d1cf7c65750
- Qualification
- IC50
- Type
- TARGET->INHIBITOR
- Amount
- Uuid
- 18ebd1c7-1e61-46cd-b0fa-335ee1e54e85
- Average
- 1.7
- Units
- NANOMOLAR
- Related substance
- Uuid
- c8ea1966-6370-4b93-bd03-6314a9ff2c01
- Refuuid
- 94b168e2-73ba-4d4c-b733-2b50a84840e9
- Name
- SERINE/THREONINE-PROTEIN KINASE MTOR
- UNII
- 1788PW098Q
- Linking ID
- 1788PW098Q
- Ref pname
- SERINE/THREONINE-PROTEIN KINASE MTOR
- Substance class
- reference
- Uuid
- e1be6485-d572-4f11-a54a-bd86263e687d
- Qualification
- IC50
- Type
- TARGET->INHIBITOR
- Amount
- Uuid
- c0ea9172-af8e-41bc-8a5c-b280c9c51868
- Average
- 9.2
- Units
- NANOMOLAR
- Related substance
- Uuid
- 9405caac-d95d-4270-a670-2e16d8a09b2c
- Refuuid
- 0cab9915-e9ca-4802-937a-848b4a4aeef4
- Name
- PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
- UNII
- 1C47E5QIN2
- Linking ID
- 1C47E5QIN2
- Ref pname
- PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
- Substance class
- reference
- Uuid
- d5b908ac-7ff6-4974-ad9b-bed3aef8af33
- Qualification
- IC50
- Type
- TARGET->INHIBITOR
- Amount
- Uuid
- e7d9b3a1-b87f-46ea-8f4e-7d9fabef09a8
- Average
- 1.4
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- Related substance
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- f2de5f69-f6c6-477a-bc27-2c9af6945ab5
- Refuuid
- 8ac7956a-ead3-48e8-a8fc-a2ea4f285f01
- Name
- PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
- UNII
- JQ83GG8LT2
- Linking ID
- JQ83GG8LT2
- Ref pname
- PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
- Substance class
- reference
- Names
- Uuid
- f4689429-e9eb-4bd9-a35a-8d9ce16fd655
- Name
- 1-(4-(3-ETHYL-7-(MORPHOLIN-4-YL)-3H-(1,2,3)TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-3-(4-((4-METHYLPIPERAZIN-1-YL)CARBONYL)PHENYL)UREA
- StdName
- 1-(4-(3-ETHYL-7-(MORPHOLIN-4-YL)-3H-(1,2,3)TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-3-(4-((4-METHYLPIPERAZIN-1-YL)CARBONYL)PHENYL)UREA
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f7899c43-85ca-4132-a4a5-d2f9bc1e41f2, a783a2e1-9ac2-44a9-b89e-cdff518be4d5
- Uuid
- dd240636-1451-4b7c-9fa8-de7c2e705faa
- Name
- N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)UREA
- StdName
- N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)UREA
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f7899c43-85ca-4132-a4a5-d2f9bc1e41f2
- Uuid
- 1c285c50-815e-48d4-a970-cd7ddefc8ca4
- Name
- PKI-402
- StdName
- PKI-402
- Type
- cd
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- f7899c43-85ca-4132-a4a5-d2f9bc1e41f2, a783a2e1-9ac2-44a9-b89e-cdff518be4d5
- Uuid
- a114fd14-26e8-4588-b21e-74709fa71d16
- Name
- PKI402
- StdName
- PKI402
- Type
- cd
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f7899c43-85ca-4132-a4a5-d2f9bc1e41f2
- Uuid
- 92506759-3d79-4aa1-98dc-25680b2dd8ed
- Name
- UREA, N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)-
- StdName
- UREA, N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f7899c43-85ca-4132-a4a5-d2f9bc1e41f2, a783a2e1-9ac2-44a9-b89e-cdff518be4d5
- References
- Uuid
- a783a2e1-9ac2-44a9-b89e-cdff518be4d5
- Citation
- STN
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN
- Uuid
- f7899c43-85ca-4132-a4a5-d2f9bc1e41f2
- Citation
- STN (SCIFINDER)
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE
- Uuid
- 04d1b4ba-1cfa-4766-a3da-a02397ee5555
- Citation
- SRS CODE IMPORT
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493392494000
- Tags
- NOMEN
- Uuid
- a855ecb7-78ea-48d5-8110-6e44226226a1
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Moieties
- Uuid
- 9bed3be7-cc09-4a69-b2a2-d3605e2b1ad0
- ID
- 9bed3be7-cc09-4a69-b2a2-d3605e2b1ad0
- Smiles
- CCn1c2c(c(nc(-c3ccc(cc3)NC(=O)Nc4ccc(cc4)C(=O)N5CCN(C)CC5)n2)N6CCOCC6)nn1
- Formula
- C29H34N10O3
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 570.6466
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132108062D 42 47 0 0 0 0 999 V2000 6.6390 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8321 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 -1.2862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 0.0487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -1.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 -2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -1.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -2.2687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 3 11 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 11 6 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 9 8 1 0 0 0 0 9 10 2 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 13 12 1 0 0 0 0 12 36 2 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 15 35 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 36 35 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 68177062-48a7-4931-978c-b3a67bf3db9d
- Structure
- ID
- d5f6a2a1-aa62-422b-bf6a-662868cd61d5
- Smiles
- CCn1c2c(c(nc(-c3ccc(cc3)NC(=O)Nc4ccc(cc4)C(=O)N5CCN(C)CC5)n2)N6CCOCC6)nn1
- Formula
- C29H34N10O3
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 570.6466
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132111052D 42 47 0 0 0 0 999 V2000 0.5057 -2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -1.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -2.2687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -1.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 0.0487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 -1.2862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8321 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 2 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 11 13 1 0 0 0 0 8 11 1 0 0 0 0 4 5 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 20 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 26 31 2 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 28 1 0 0 0 0 32 29 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 35 40 1 0 0 0 0 30 35 1 0 0 0 0 41 42 1 0 0 0 0 34 41 1 0 0 0 0 23 26 1 0 0 0 0 1 20 1 0 0 0 0 M END
- References
- a783a2e1-9ac2-44a9-b89e-cdff518be4d5, f7899c43-85ca-4132-a4a5-d2f9bc1e41f2