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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H22ClN7O2
Molecular Weight 451.909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CCX-354

SMILES

COC1=CC(=CC=C1Cl)N2CCN(CC2)C(=O)CN3N=C(C4=NC=CN4)C5=C3N=CC=C5

InChI

InChIKey=ZIMLRKWQDLVPEK-UHFFFAOYSA-N
InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C22H22ClN7O2
Molecular Weight 451.909
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:06:58 GMT 2025
Edited
by admin
on Tue Apr 01 17:06:58 GMT 2025
Record UNII
22PQS5K5TY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CCX354
Preferred Name English
CCX-354
Common Name English
GSK-2941266
Code English
GSK2941266
Code English
ETHANONE, 1-(4-(4-CHLORO-3-METHOXYPHENYL)-1-PIPERAZINYL)-2-(3-(1H-IMIDAZOL-2-YL)-1H-PYRAZOLO(3,4-B)PYRIDIN-1-YL)-
Systematic Name English
CCX354-C
Code English
Code System Code Type Description
CAS
1359144-02-7
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
NO STRUCTURE GIVEN
CAS
1010073-75-2
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
PRIMARY
ChEMBL
CHEMBL3545404
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
PRIMARY
SMS_ID
300000041480
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
PRIMARY
DRUG BANK
DB12963
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
PRIMARY
PUBCHEM
135565361
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
PRIMARY
FDA UNII
22PQS5K5TY
Created by admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY
Demonstrated a good pharmacokinetic profile (Dairaghi et al., 2011) and acceptable safety and efficacy in a randomized, placebo-controlled phase 2a study with RA patient.