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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H49ClN8O7
Molecular Weight 669.212
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDREVLORIDE

SMILES

CCCCCCN(CCOC1=CC=C(CCCCNC(=N)NC(=O)C2=NC(Cl)=C(N)N=C2N)C=C1)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI

InChIKey=HBZAZSCNDMDWEU-WREZULKGSA-N
InChI=1S/C30H49ClN8O7/c1-2-3-4-7-14-39(17-21(41)24(43)25(44)22(42)18-40)15-16-46-20-11-9-19(10-12-20)8-5-6-13-35-30(34)38-29(45)23-27(32)37-28(33)26(31)36-23/h9-12,21-22,24-25,40-44H,2-8,13-18H2,1H3,(H4,32,33,37)(H3,34,35,38,45)/t21-,22+,24+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H49ClN8O7
Molecular Weight 669.212
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:25 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:25 GMT 2023
Record UNII
NY2J56S3YA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IDREVLORIDE
INN   USAN  
Official Name English
GS-5737
Code English
GS-560876
Code English
VX-371
Code English
VRT-1499138
Code English
IDREVLORIDE [USAN]
Common Name English
P-1037
Code English
idrevloride [INN]
Common Name English
D-GLUCITOL, 1-DEOXY-1-((2-(4-(4-(((((3,5-DIAMINO-6-CHLORO-2-PYRAZINYL)CARBONYL)AMINO)IMINOMETHYL)AMINO)BUTYL)PHENOXY)ETHYL)HEXYLAMINO)-
Systematic Name English
3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL((2S,3R,4R,5R)-2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)-CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE
Systematic Name English
3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL((2S,3R,4R,5R)-2,3,4,5,6-PENTAHYDROXYLHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)-CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 746320
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
Code System Code Type Description
FDA UNII
NY2J56S3YA
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
CAS
1416973-63-1
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
PUBCHEM
71502876
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
USAN
JK-124
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
SMS_ID
300000021730
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
NCI_THESAURUS
C184934
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
INN
11849
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545352
Created by admin on Sat Dec 16 08:28:25 GMT 2023 , Edited by admin on Sat Dec 16 08:28:25 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY