EPTIFIBATIDE

Search structure
Synonyms:
Status: Approved (1998)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: B01AC16
UNII: NA8320J834

Structure
InChI Key CZKPOZZJODAYPZ-LROMGURASA-N
Smile N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
InChI
InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H49N11O9S2
Molecular Weight 831.98
AlogP -1.84
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 10.0
Polar Surface Area 323.89
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 57.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Integrin alpha-IIb/beta-3 inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- 140-570 120 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 3 D009203 ClinicalTrials
Cardiovascular Diseases 3 D002318 ClinicalTrials
Ischemic Stroke 3 D000083242 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
ST Elevation Myocardial Infarction 2 D000072657 ClinicalTrials
Brain Infarction 2 D020520 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Pneumonia 2 D011014 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Anemia, Sickle Cell 1 D000755 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 291902
ChEMBL CHEMBL1174
DrugCentral 1040
EPA CompTox DTXSID7046673
FDA SRS NA8320J834
Guide to Pharmacology 6585
SureChEMBL SCHEMBL15781
ZINC ZINC000085536935
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