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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32N6O3
Molecular Weight 416.5172
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EFEGATRAN

SMILES

CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C=O

InChI

InChIKey=KAGLWQUWUNBAOO-KSZLIROESA-N
InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32N6O3
Molecular Weight 416.5172
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Efegatran (GYKI 14766; LY 294468) is a tripeptide D-methyl-phenylalanyl-prolyl-arginal thrombin inhibitor. It was developed by IVAX for the potential treatment of thromboembolic disorders, mainly myocardial infarction. However, information about the further development is not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:16:03 GMT 2023
Edited
by admin
on Sat Dec 16 16:16:03 GMT 2023
Record UNII
VT0VK2474K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EFEGATRAN
INN  
INN  
Official Name English
LY294468
Code English
L-PROLINAMIDE, N-METHYL-D-PHENYLALANYL-N-(4-((AMINOIMINOMETHYL)AMINO)-1-FORMYLBUTYL)-, (S)-
Systematic Name English
LY-294468
Code English
efegatran [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
NCI_THESAURUS C263
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
Code System Code Type Description
INN
7211
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
CAS
105806-65-3
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID20909748
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
ChEMBL
CHEMBL273196
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
NCI_THESAURUS
C72749
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
FDA UNII
VT0VK2474K
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
EVMPD
SUB06464MIG
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
PUBCHEM
122267
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
SMS_ID
100000080514
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
MESH
C064289
Created by admin on Sat Dec 16 16:16:03 GMT 2023 , Edited by admin on Sat Dec 16 16:16:03 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY