Details of the Drug

General Information of Drug (ID: DM47MKE)

Drug Name
L-703014
Synonyms CHEMBL325687; BDBM50092114; 4-(1H-Indol-3-yl)-2-[2-(4-piperidin-4-yl-butyrylamino)-acetylamino]-butyric acid (L-703014)
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 428.5
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H32N4O4
IUPAC Name
(2R)-4-(1H-indol-3-yl)-2-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]butanoic acid
Canonical SMILES
C1CNCCC1CCCC(=O)NCC(=O)N[C@H](CCC2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C23H32N4O4/c28-21(7-3-4-16-10-12-24-13-11-16)26-15-22(29)27-20(23(30)31)9-8-17-14-25-19-6-2-1-5-18(17)19/h1-2,5-6,14,16,20,24-25H,3-4,7-13,15H2,(H,26,28)(H,27,29)(H,30,31)/t20-/m1/s1
InChIKey
WDRKDCBKBCRZSK-HXUWFJFHSA-N
Cross-matching ID
PubChem CID
44343739
ChEBI ID
CHEMBL325687
TTD ID
D0U6BB
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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 Expression Atlas of This Drug

The Studied Disease Thrombosis
ICD Disease Classification DB61-GB90
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) 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 800004828)
2 Pharmacokinetics and pharmacodynamics of L-703,014, a potent fibrinogen receptor antagonist, after intravenous and oral administration in the dog. Pharm Res. 1994 Mar;11(3):426-31.