Details of the Drug

General Information of Drug (ID: DMYGJCL)

• Drug Name: LB30057
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 493.6
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H31N5O3S
  IUPAC Name: (2S)-3-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)propanamide
  Canonical SMILES: CN(C1CCCC1)C(=O)[C@H](CC2=CC=C(C=C2)/C(=N/N)/N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3
  InChI: InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1
  InChIKey: ZPDICRPCOSQEDS-DEOSSOPVSA-N
• Cross-matching ID:
  PubChem CID: 9913629
  ChEBI ID: CHEMBL7962
  CAS Number: 184770-78-3
  TTD ID: D0S2JG
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

References

• [1] Antithrombotic activity of LB30057, a newly synthesized direct thrombin inhibitor. Thromb Haemost. 2003 Jan;89(1):104-11.