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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26N8O
Molecular Weight 454.5269
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Migoprotafib

SMILES

N[C@@H]1C2=C(OC13CCN(CC3)C4=CN=C5C(NN=C5N6CCCC7=C6C=CC=N7)=N4)C=CC=C2

InChI

InChIKey=RGCGBFIARQENML-JOCHJYFZSA-N
InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H26N8O
Molecular Weight 454.5269
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 Sat Dec 16 14:44:41 UTC 2023
Edited
by admin
on Sat Dec 16 14:44:41 UTC 2023
Record UNII
ABR1HZ0ZG8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Migoprotafib
INN  
Official Name English
GDC-1971
Code English
RLY-1971
Code English
(3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1Hpyrazolo[ 3,4-b]pyrazin-6-yl]-spiro[benzofuran-2(3H),4'- piperidin]-3-amine
Systematic Name English
migoprotafib [INN]
Common Name English
(3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H- pyrazolo[3,4-b]pyrazin-6-yl]-spiro[benzofuran-2(3H),4'- piperidin]-3-amine
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C199073
Created by admin on Sat Dec 16 14:44:42 UTC 2023 , Edited by admin on Sat Dec 16 14:44:42 UTC 2023
PRIMARY
PUBCHEM
139512018
Created by admin on Sat Dec 16 14:44:42 UTC 2023 , Edited by admin on Sat Dec 16 14:44:42 UTC 2023
PRIMARY
FDA UNII
ABR1HZ0ZG8
Created by admin on Sat Dec 16 14:44:42 UTC 2023 , Edited by admin on Sat Dec 16 14:44:42 UTC 2023
PRIMARY
INN
12530
Created by admin on Sat Dec 16 14:44:42 UTC 2023 , Edited by admin on Sat Dec 16 14:44:42 UTC 2023
PRIMARY
CAS
2377352-49-1
Created by admin on Sat Dec 16 14:44:42 UTC 2023 , Edited by admin on Sat Dec 16 14:44:42 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INHIBITOR
Testosterone as substrate
TIME-DEPENDENT INHIBITION
IC50
METABOLIC ENZYME -> INHIBITOR
Midazolam as substrate
IC50
OFF-TARGET->INHIBITOR
IC50
METABOLIC ENZYME -> INHIBITOR
REVERSIBLE
IC50
BINDER->LIGAND
BINDING
Related Record Type Details
ACTIVE MOIETY