Substances (GSRS)

FDL-176 hydrochloride

Also: FDL176 hydrochloride, XO-176 hydrochloride, [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 6-(phenylsulfonyl)-N-[[4-(2-pyridinyl)phenyl]methyl]-, h…

chemicalUNII CFR56UQU9G

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

c60ff5d4-c05f-4e10-ac3a-326727467901

Version

UNII

CFR56UQU9G

Codes

Uuid
786578e5-4deb-38d8-4fcc-94a33dda7926
Code
300000046752
Type
PRIMARY
Code system
SMS_ID
References
888d32ba-25b4-4c79-b784-8a4f4a41a6d4
Uuid
a302d382-bc0b-4ef6-b16d-f18a6a69ff94
Code
2750594-40-0
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=2750594-40-0
Code system
CAS
Uuid
7ed78da5-b37a-4d70-ad40-31835e4eb889
Code
CFR56UQU9G
Type
PRIMARY
Code system
FDA UNII
Uuid
94213d3b-5cc0-445a-a2a7-554235048dc2
Code
168820224
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/168820224
Code system
PUBCHEM
References
83d7c55e-82da-48b0-a9e4-06fdfaf1aff7

References

Uuid
83d7c55e-82da-48b0-a9e4-06fdfaf1aff7
Citation
PUBCHEM
Doc type
PUBCHEM
Public domain
true
Uuid
4823a340-26da-4a54-8dd9-27a4bf47a7b3
Citation
Whitcomb, David, and Mark Haupt. "Methods of treating cftr related diseases and disorders." U.S. Patent Application No. 17/927,272.
Url
https://patents.google.com/patent/US20230201172A1/en
Doc type
PATENT
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
cf194ba1-c24d-92f1-e82b-e09e8c67dc10
Citation
stn
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
888d32ba-25b4-4c79-b784-8a4f4a41a6d4
Citation
SMS
Doc type
EMA LIST
Public domain
true

Moieties

Uuid
927e158a-0e03-f368-b202-7dcc813bb6ff
ID
927e158a-0e03-f368-b202-7dcc813bb6ff
Smiles
c1ccc(cc1)S(=O)(=O)c2ccc3nc(NCc4ccc(cc4)-c5ccccn5)nn3c2
Formula
C24H19N5O2S
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
441.5069
Optical activity
NONE
Stereo centers
0
Molfile
CDK 07282414432D 32 36 0 0 0 0 0 0 0 0999 V2000 17.4936 -8.2670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.2736 -9.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7136 -6.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5074 -6.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2874 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5468 -7.4869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5468 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1956 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0303 -7.9690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0303 -5.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1956 -5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8446 -7.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9472 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8446 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1427 -9.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1427 -10.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7916 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7916 -11.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4405 -9.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4405 -10.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8474 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6274 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6274 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1874 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1874 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9674 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5275 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3075 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3075 -6.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.8675 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8675 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6475 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
2a1c2e15-b11c-58da-88c7-5a8b1af4ad1b
Uuid
13af608c-30d4-4443-805a-6ac22205743c
ID
13af608c-30d4-4443-805a-6ac22205743c
Molfile
CDK 07282414432D 1 0 0 0 0 0 0 0 0 0999 V2000 31.8760 -10.0880 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 M END
Smiles
Cl
Formula
ClH
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
36.4609
Optical activity
NONE
Stereo centers
0
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
c17f2098-25cb-478f-ae22-c4da02d0b87a

Structure

ID: b4e06ea2-d1b8-4a2f-9df9-ec311951d81f
Smiles: c1ccc(cc1)S(=O)(=O)c2ccc3nc(NCc4ccc(cc4)-c5ccccn5)nn3c2.Cl
Formula: C24H19N5O2S.ClH
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 477.9678
Optical activity: NONE
Stereo centers: 0
Molfile: 6-(Phenylsulfonyl)-N-[[4-(2-pyridinyl)phenyl]methyl][1,2,4]triazolo[1,5-a]pyr... JSDraw207282414432D 33 36 0 0 0 0 0 V2000 17.4936 -8.2670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.2736 -9.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7136 -6.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5074 -6.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2874 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5468 -7.4869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5468 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1956 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0303 -7.9690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0303 -5.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1956 -5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8446 -7.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9472 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8446 -5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1427 -9.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1427 -10.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7916 -8.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7916 -11.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4405 -9.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4405 -10.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8474 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6274 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6274 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1874 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1874 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9674 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5275 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3075 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3075 -6.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.8675 -4.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8675 -6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6475 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8760 -10.0880 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 M END
References: cf194ba1-c24d-92f1-e82b-e09e8c67dc10, 4823a340-26da-4a54-8dd9-27a4bf47a7b3

Relationships

Uuid
6c369149-9d21-44cd-a2a5-0ae73f10d77e
Type
PARENT->SALT/SOLVATE
Amount
Uuid
65a2cc09-8dd1-4b81-8917-8251a3b87c26
References
4823a340-26da-4a54-8dd9-27a4bf47a7b3
Related substance
Uuid
408fd735-7cf7-408c-9b9a-9fc65155de87
Refuuid
c97e4a33-adf0-4691-ba8a-18b805c9f5ca
Name
XO-176
UNII
6B6JDK6JD5
Linking ID
6B6JDK6JD5
Ref pname
XO-176
Substance class
reference
Uuid
ca47abc3-36a1-4826-a258-fb83c3df0507
Type
ACTIVE MOIETY
Amount
Uuid
2a47f688-3d8f-43ae-abf4-e49b275d2ab4
References
cf194ba1-c24d-92f1-e82b-e09e8c67dc10
Related substance
Uuid
45a156e1-b939-4191-870d-4c5b30727bf4
Refuuid
c97e4a33-adf0-4691-ba8a-18b805c9f5ca
Name
XO-176
UNII
6B6JDK6JD5
Linking ID
6B6JDK6JD5
Ref pname
XO-176
Substance class
reference

Names

Uuid
b9dc559f-1c4d-41cf-b76b-3bb71b8bd454
Name
FDL-176 hydrochloride
StdName
FDL-176 HYDROCHLORIDE
Type
cn
Preferred
false
Display name
false
Languages
en
References
4823a340-26da-4a54-8dd9-27a4bf47a7b3
Uuid
545287a1-2922-48b6-8656-414f18c63712
Name
FDL176 hydrochloride
StdName
FDL176 HYDROCHLORIDE
Type
cn
Preferred
false
Display name
false
Languages
en
References
4823a340-26da-4a54-8dd9-27a4bf47a7b3
Uuid
4acaf2aa-2e35-44ce-b314-1894a02c222c
Name
XO-176 hydrochloride
StdName
XO-176 HYDROCHLORIDE
Type
cd
Preferred
false
Display name
true
Languages
en
References
4823a340-26da-4a54-8dd9-27a4bf47a7b3
Uuid
8a2ee1a1-2f93-456c-837b-91dfb49e2749
Name
[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 6-(phenylsulfonyl)-N-[[4-(2-pyridinyl)phenyl]methyl]-, hydrochloride (1:1)
StdName
(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-AMINE, 6-(PHENYLSULFONYL)-N-((4-(2-PYRIDINYL)PHENYL)METHYL)-, HYDROCHLORIDE (1:1)
Type
sys
Preferred
false
Display name
false
Languages
en
References
cf194ba1-c24d-92f1-e82b-e09e8c67dc10

Modifications

Uuid: f37b3040-bb80-1952-3846-15d9310364da

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.