U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H13ClF3N5O3S
Molecular Weight 495.862
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILACIRNON

SMILES

CC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(=C2)C(F)(F)F)=C(N=C1)C(=O)C3=C4C=CNC4=NC=N3

InChI

InChIKey=LUUMLYXKTPBTQR-UHFFFAOYSA-N
InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)

HIDE SMILES / InChI

Molecular Formula C20H13ClF3N5O3S
Molecular Weight 495.862
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.3 nM [Kd]
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:10:49 GMT 2023
Record UNII
380F68J5PH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILACIRNON
USAN   INN  
Official Name English
CCX140
Code English
ilacirnon [INN]
Common Name English
4-CHLORO-N-(5-METHYL-2-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLCARBONYL)-3-PYRIDINYL)-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
Systematic Name English
BENZENESULFONAMIDE, 4-CHLORO-N-(5-METHYL-2-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLCARBONYL)-3-PYRIDINYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
ILACIRNON [USAN]
Common Name English
CCX-140
Code English
Code System Code Type Description
EVMPD
SUB197614
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
CAS
1100318-47-5
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
INN
11339
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
CAS
1386991-76-9
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
NO STRUCTURE GIVEN
USAN
JK-57
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
SMS_ID
100000183240
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
PUBCHEM
25134303
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
NCI_THESAURUS
C175798
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
FDA UNII
380F68J5PH
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545286
Created by admin on Sat Dec 16 08:10:49 GMT 2023 , Edited by admin on Sat Dec 16 08:10:49 GMT 2023
PRIMARY
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