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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26N8O2
Molecular Weight 458.5156
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLPG-0259

SMILES

CC(C)N1C[C@@H]2C[C@H]1CN2C3=CC=C(NC4=NC=C(N5N=CN=C45)C6=COC(=C6)C(N)=O)C=C3

InChI

InChIKey=YBFGSJUVEOYPIS-OALUTQOASA-N
InChI=1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H26N8O2
Molecular Weight 458.5156
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:40:17 GMT 2023
Edited
by admin
on Sat Dec 16 14:40:17 GMT 2023
Record UNII
52EG7RFE6Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLPG-0259
Code English
2-FURANCARBOXAMIDE, 4-(8-((4-((1S,4S)-5-(1-METHYLETHYL)-2,5-DIAZABICYCLO(2.2.1)HEPT-2-YL)PHENYL)AMINO)(1,2,4)TRIAZOLO(1,5-A)PYRAZIN-5-YL)-
Systematic Name English
4-(8-((4-((1S,4S)-5-ISOPROPYL-2,5-DIAZABICYCLO(2.2.1)HEPTAN-2-YL)PHENYL)AMINO)-(1,2,4)TRIAZOLO(1,5-A)PYRAZIN-5-YL)FURAN-2-CARBOXAMIDE
Systematic Name English
GLPG0259
Code English
Code System Code Type Description
DRUG BANK
DB15190
Created by admin on Sat Dec 16 14:40:17 GMT 2023 , Edited by admin on Sat Dec 16 14:40:17 GMT 2023
PRIMARY
SMS_ID
300000041490
Created by admin on Sat Dec 16 14:40:17 GMT 2023 , Edited by admin on Sat Dec 16 14:40:17 GMT 2023
PRIMARY
FDA UNII
52EG7RFE6Y
Created by admin on Sat Dec 16 14:40:17 GMT 2023 , Edited by admin on Sat Dec 16 14:40:17 GMT 2023
PRIMARY
CAS
1195065-29-2
Created by admin on Sat Dec 16 14:40:17 GMT 2023 , Edited by admin on Sat Dec 16 14:40:17 GMT 2023
PRIMARY
PUBCHEM
44462738
Created by admin on Sat Dec 16 14:40:17 GMT 2023 , Edited by admin on Sat Dec 16 14:40:17 GMT 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY