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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28BrN7O3
Molecular Weight 602.482
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vemircopan

SMILES

CC(=O)C1=NN(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)NC4=C(C)C=CC(Br)=N4)C5=CC=C(C=C15)C6=CN=C(C)N=C6

InChI

InChIKey=OCXAGXCMZACNEC-CTWZREHQSA-N
InChI=1S/C29H28BrN7O3/c1-15-5-8-24(30)33-27(15)34-28(40)22-10-29(4)11-23(29)37(22)25(39)14-36-21-7-6-18(19-12-31-17(3)32-13-19)9-20(21)26(35-36)16(2)38/h5-9,12-13,22-23H,10-11,14H2,1-4H3,(H,33,34,40)/t22-,23+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H28BrN7O3
Molecular Weight 602.482
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:14:35 GMT 2023
Edited
by admin
on Sat Dec 16 15:14:35 GMT 2023
Record UNII
HN6I4K50QB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vemircopan
USAN   INN  
Official Name English
(1R,3S,5R)-2-{[3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl]acetyl}-N-(6-bromo-3-methylpyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
Systematic Name English
vemircopan [INN]
Common Name English
VEMIRCOPAN [USAN]
Common Name English
ACH-5228
Code English
2-Azabicyclo[3.1.0]hexane-3-carboxamide, 2-[2-[3-acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-, (1R,3S,5R)-
Systematic Name English
ALXN2050
Code English
ACH-0145228
Code English
ALXN-2050
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 722519
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
Code System Code Type Description
CAS
2086178-00-7
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY
PUBCHEM
126642840
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY
NCI_THESAURUS
C174393
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY
INN
11583
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY INN
SMS_ID
300000011000
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY
USAN
KL-187
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY
FDA UNII
HN6I4K50QB
Created by admin on Sat Dec 16 15:14:35 GMT 2023 , Edited by admin on Sat Dec 16 15:14:35 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY