PF-03715455
Also: PF-3715455, UREA, N-(1-(3-CHLORO-4-HYDROXYPHENYL)-3-(1,1-DIMETHYLETHYL)-1H-PYRAZOL-5-YL)-N'-((2-((3-(2-((2-HYDROXYETHYL)THIO)PHENYL)-1,2,4-…
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 8442169a-17cc-4bf3-b261-0225f8c075df
- Version
- 6
- UNII
- 0TJ631J0KP
- Codes
- Uuid
- 0bb0662d-ce7f-4573-8f34-a5f8a08eac3e
- Code
- 1056164-52-3
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=1056164-52-3
- Code system
- CAS
- References
- f2555937-27ed-4096-a419-5fdb09cce972, ae340c65-7ce7-4cd0-9c1f-349534f4ca3a
- Uuid
- 197f9c8b-32d6-495f-8b7a-5614e7cac61e
- Code
- CHEMBL1938400
- Type
- PRIMARY
- Url
- https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1938400
- Code system
- ChEMBL
- References
- f2555937-27ed-4096-a419-5fdb09cce972
- Uuid
- b5d325a6-27cc-4555-a3ef-b19a18c2fec2
- Code
- 11714580
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/11714580
- Code system
- PUBCHEM
- References
- f2555937-27ed-4096-a419-5fdb09cce972
- Uuid
- 2987db7b-97a7-4c99-4ab0-6984e985bbe3
- Code
- DTXSID70147214
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID70147214
- Code system
- EPA CompTox
- References
- ab400394-f589-59d6-f1cd-ef29df4b8a07
- Uuid
- 59c72b26-08ac-acb9-d6b1-42818cca0b39
- Code
- DB12138
- Type
- PRIMARY
- Url
- https://go.drugbank.com/drugs/DB12138
- Code system
- DRUG BANK
- References
- a12b974a-58fc-d8c0-a2ab-0e33080193bf
- Uuid
- eaa20d93-f36a-43da-b8fd-12e46d77ceeb
- Code
- 0TJ631J0KP
- Type
- PRIMARY
- Code system
- FDA UNII
- Relationships
- Uuid
- 9f22e1d1-3dd4-44ad-9134-6f02a79b8b82
- Type
- ACTIVE MOIETY
- Amount
- Uuid
- 23968d57-0ef2-498b-815d-d0591d1211a7
- References
- ddee1eb0-1b46-42f0-a1c6-45ee4ed7fb33
- Related substance
- Uuid
- 7ead5e5e-b3c6-4c82-b344-6b285c049501
- Refuuid
- 8442169a-17cc-4bf3-b261-0225f8c075df
- Name
- PF-03715455
- UNII
- 0TJ631J0KP
- Linking ID
- 0TJ631J0KP
- Ref pname
- PF-03715455
- Substance class
- reference
- Names
- Uuid
- f0d8ffe7-f14e-404f-b0f8-3e5fdb07c787
- Name
- PF-03715455
- StdName
- PF-03715455
- Type
- cn
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- ddee1eb0-1b46-42f0-a1c6-45ee4ed7fb33
- Uuid
- cf03a5bf-4fd1-4bdb-a4de-8de839543391
- Name
- PF-3715455
- StdName
- PF-3715455
- Type
- cn
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- b2dee200-76d5-4e4a-84e1-10e7ad9df47d
- Uuid
- dc53bb9c-14bb-4b4c-ab34-b745b9ac4cd2
- Type
- sys
- Preferred
- false
- Display name
- false
- Name
UREA, N-(1-(3-CHLORO-4-HYDROXYPHENYL)-3-(1,1-DIMETHYLETHYL)-1H-PYRAZOL-5-YL)-N'-((2-((3-(2-((2-HYDROXYETHYL)THIO)PHENYL)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-6-YL)THIO)PHENYL)METHYL)-
- StdName
UREA, N-(1-(3-CHLORO-4-HYDROXYPHENYL)-3-(1,1-DIMETHYLETHYL)-1H-PYRAZOL-5-YL)-N'-((2-((3-(2-((2-HYDROXYETHYL)THIO)PHENYL)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-6-YL)THIO)PHENYL)METHYL)-
- Languages
- en
- References
- 6ee684ae-205c-4c96-bb6f-60ade7c9ec39
- References
- Uuid
- ddee1eb0-1b46-42f0-a1c6-45ee4ed7fb33
- Citation
- http://pubs.acs.org/doi/full/10.1021/jm200677b
- Url
- http://pubs.acs.org/doi/full/10.1021/jm200677b
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
- Uuid
- 6ee684ae-205c-4c96-bb6f-60ade7c9ec39
- Citation
- STN
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN
- Uuid
- f2555937-27ed-4096-a419-5fdb09cce972
- Citation
- SRS CODE IMPORT
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493391938000
- Tags
- NOMEN
- Uuid
- 52fa2968-cd78-4712-b0ba-62ac38f18faa
- Citation
- SRS import [0TJ631J0KP]
- Url
- http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=0TJ631J0KP
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493391938000
- Tags
- NOMEN
- Uuid
- ab400394-f589-59d6-f1cd-ef29df4b8a07
- Citation
- WEBSITE
- Url
- https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=1056164-52-3
- Doc type
- WEBSITE
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE
- Uuid
- a12b974a-58fc-d8c0-a2ab-0e33080193bf
- Doc type
- SYSTEM
- Public domain
- true
- Uuid
- ae340c65-7ce7-4cd0-9c1f-349534f4ca3a
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Uuid
- b2dee200-76d5-4e4a-84e1-10e7ad9df47d
- Url
- https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c00115
- Doc type
- JA
- Public domain
- true
- Citation
Armani, Elisabetta, et al. "Design, Synthesis, and Biological Characterization of Inhaled p38α/β MAPK Inhibitors for the Treatment of Lung Inflammatory Diseases." Journal of Medicinal Chemistry (2022).
- Moieties
- Uuid
- 9f8b764f-3ec7-45b1-bb7b-37a0fc637e78
- ID
- 9f8b764f-3ec7-45b1-bb7b-37a0fc637e78
- Smiles
- CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc3ccc4nnc(-c5ccccc5SCCO)n4c3)n(-c6ccc(c(c6)Cl)O)n1
- Formula
- C35H34ClN7O3S2
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 700.276
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132108172D 48 53 0 0 0 0 999 V2000 3.6167 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 1.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 0.6151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 1.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 0.6151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -1.8599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -0.3675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -1.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -2.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7715 -3.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -4.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -2.9285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -3.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 -3.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 -3.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -1.4474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 2.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 2.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 3.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 4.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 2.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 2.4423 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6414 2.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 2 1 0 0 0 0 5 6 1 0 0 0 0 40 5 2 0 0 0 0 6 7 2 0 0 0 0 8 7 1 0 0 0 0 39 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 0 0 0 0 20 38 2 0 0 0 0 22 21 2 0 0 0 0 23 22 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 25 24 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 37 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 32 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 38 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 48 2 0 0 0 0 43 42 2 0 0 0 0 44 43 1 0 0 0 0 44 45 1 0 0 0 0 46 44 2 0 0 0 0 46 47 1 0 0 0 0 48 46 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 55fac719-b462-46df-bbeb-cd0fdc8ac759
- Structure
- ID
- 17528cd8-54b9-4fd5-b723-820b1a423bc5
- Smiles
- CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc3ccc4nnc(-c5ccccc5SCCO)n4c3)n(-c6ccc(c(c6)Cl)O)n1
- Formula
- C35H34ClN7O3S2
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 700.276
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132101242D 48 53 0 0 0 0 999 V2000 -0.0444 0.6151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 1.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 0.6151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -1.8599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -1.4474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -1.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -0.3675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 -1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -2.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -4.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7715 -3.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -2.9285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -3.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 -3.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 -3.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 1.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 2.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 2.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6414 2.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 2.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 3.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 4.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 2.4423 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7963 1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 1.8863 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 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 18 21 1 0 0 0 0 13 20 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 25 26 2 0 0 0 0 26 27 1 0 0 0 0 22 27 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 28 29 1 0 0 0 0 23 28 1 0 0 0 0 21 22 1 0 0 0 0 12 16 1 0 0 0 0 7 12 1 0 0 0 0 4 5 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 32 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 37 42 2 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 32 37 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 0 0 0 0 45 47 1 0 0 0 0 34 45 1 0 0 0 0 1 36 1 0 0 0 0 M END
- References
- 52fa2968-cd78-4712-b0ba-62ac38f18faa, 6ee684ae-205c-4c96-bb6f-60ade7c9ec39