Details of the Drug

General Information of Drug (ID: DMQ3O4C)

Drug Name

FK-633

Synonyms

FK-633; Dryofragin; ((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine; 147865-49-4; CHEMBL34901; FK 633; AC1L31M0; SCHEMBL1710973; DTXSID00163821; ZINC3918297; BDBM50092111; LS-161294; FR-144633; 4-(4-amidinophenoxy)butanoyl-aspartyl-valine; 2-{2-[4-(4-Carbamimidoyl-phenoxy)-butyrylamino]-3-carboxy-propionylamino}-3-methyl-butyric acid (FK633); (2S)-2-[[(2S)-2-[4-(4-carbamimidoylphenoxy)butanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Artery stenosis	BD52	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

436.5

Logarithm of the Partition Coefficient (xlogp)

0.3

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C20H28N4O7
IUPAC Name: (2S)-2-[[(2S)-2-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid
Canonical SMILES: CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N
InChI: InChI=1S/C20H28N4O7/c1-11(2)17(20(29)30)24-19(28)14(10-16(26)27)23-15(25)4-3-9-31-13-7-5-12(6-8-13)18(21)22/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H3,21,22)(H,23,25)(H,24,28)(H,26,27)(H,29,30)/t14-,17-/m0/s1
InChIKey: JFCXCBBSUORTNS-YOEHRIQHSA-N

Cross-matching ID

PubChem CID: 132814
CAS Number: 147865-49-4
TTD ID: D0W4OL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	TT38RM1	ITA2B_HUMAN ; ITB3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Artery stenosis

ICD Disease Classification

BD52

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	DTT	ITGA2B; ITGB3	7.83E-01	-0.11	-0.45

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006561)
2	Efficacy of FK633, an ultra-short acting glycoprotein IIb/IIIa antagonist on platelet preservation during and after cardiopulmonary bypass. Eur J Cardiothorac Surg. 2004 Aug;26(2):289-93.