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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21ClFN3O4S
Molecular Weight 441.904
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DANIRIXIN

SMILES

CC1=C(F)C=CC=C1NC(=O)NC2=CC=C(Cl)C(=C2O)S(=O)(=O)[C@H]3CCCNC3

InChI

InChIKey=NGYNBSHYFOFVLS-LBPRGKRZSA-N
InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21ClFN3O4S
Molecular Weight 441.904
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:40 UTC 2023
Edited
by admin
on Fri Dec 15 19:40:40 UTC 2023
Record UNII
R318PGH5VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DANIRIXIN
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
Danirixin [WHO-DD]
Common Name English
GSK-1325756B
Code English
GSK1325756B
Code English
1-(4-CHLORO-2-HYDROXY-3-(((3S)-PIPERIDINE-3-SULFONYL)PHENYL)-3-(3-FLUORO-2-METHYLPHENYL)UREA
Common Name English
danirixin [INN]
Common Name English
DANIRIXIN [USAN]
Common Name English
GSK1325756
Code English
Code System Code Type Description
CAS
954126-98-8
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
NCI_THESAURUS
C169874
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
INN
9559
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
SMS_ID
100000166272
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
FDA UNII
R318PGH5VP
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
EVMPD
SUB180340
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
PUBCHEM
24780598
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
DRUG BANK
DB11922
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL3039531
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
USAN
YY-70
Created by admin on Fri Dec 15 19:40:40 UTC 2023 , Edited by admin on Fri Dec 15 19:40:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY