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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H23N3O4
Molecular Weight 321.3715
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GABEXATE

SMILES

CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1

InChI

InChIKey=YKGYIDJEEQRWQH-UHFFFAOYSA-N
InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)

HIDE SMILES / InChI

Molecular Formula C16H23N3O4
Molecular Weight 321.3715
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:51:23 UTC 2023
Edited
by admin
on Sat Dec 16 15:51:23 UTC 2023
Record UNII
4V7M9137X9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GABEXATE
INN   MI   WHO-DD  
INN  
Official Name English
GABEXATE [JAN]
Common Name English
gabexate [INN]
Common Name English
GABEXATE [MI]
Common Name English
Gabexate [WHO-DD]
Common Name English
ETHYL P-HYDROXYBENZOATE 6-GUANIDINOHEXANOATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
NCI_THESAURUS C783
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
FDA ORPHAN DRUG 764320
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
Code System Code Type Description
IUPHAR
7863
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
SMS_ID
100000084507
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
NCI_THESAURUS
C76960
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
CAS
39492-01-8
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
DRUG BANK
DB12831
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
DRUG CENTRAL
3257
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
EVMPD
SUB07858MIG
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID9048566
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
INN
3988
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
MESH
D016670
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
WIKIPEDIA
GABEXATE
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
FDA UNII
4V7M9137X9
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
MERCK INDEX
m5620
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY Merck Index
PUBCHEM
3447
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL87563
Created by admin on Sat Dec 16 15:51:23 UTC 2023 , Edited by admin on Sat Dec 16 15:51:23 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Ki
Related Record Type Details
ACTIVE MOIETY