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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H37N7O5S
Molecular Weight 595.713
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLPG-0187

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC2=NC(C)=NC(N3CCC(CC3)C4=CC=C5CCCNC5=N4)=C2C)C(O)=O

InChI

InChIKey=CXHCNOMGODVIKB-VWLOTQADSA-N
InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GLPG-0187
Common Name English
GLPG0187
Code English
L-ALANINE, 3-((2,5-DIMETHYL-6-(4-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)-1-PIPERIDINYL)-4-PYRIMIDINYL)AMINO)-N-((4-METHOXYPHENYL)SULFONYL)
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C96223
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
PRIMARY
CAS
1644644-90-5
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
NO STRUCTURE GIVEN
FDA UNII
43A5P87Z4T
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
PRIMARY
SMS_ID
300000042379
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
PRIMARY
DRUG BANK
DB12297
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
PRIMARY
CAS
1320346-97-1
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
PRIMARY
PUBCHEM
53340771
Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023
PRIMARY