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
  CAS Number: 184770-78-3
  TTD ID: D0S2JG

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.