Details of the Drug

General Information of Drug (ID: DM40KU8)

• Drug Name: US10023583, Example 8
• Synonyms: SCHEMBL19774240; US10023583, Example 8; BDBM284936
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.5
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H24N2O3S2
  IUPAC Name: (2R,3R)-3-amino-2-[(2-butylthieno[3,2-c]pyridin-4-yl)methyl]-2-hydroxy-4-methylsulfanylbutanoic acid
  Canonical SMILES: CCCCC1=CC2=C(S1)C=CN=C2C[C@@]([C@H](CSC)N)(C(=O)O)O
  InChI: InChI=1S/C17H24N2O3S2/c1-3-4-5-11-8-12-13(19-7-6-14(12)24-11)9-17(22,16(20)21)15(18)10-23-2/h6-8,15,22H,3-5,9-10,18H2,1-2H3,(H,20,21)/t15-,17+/m0/s1
  InChIKey: DBCFIUMQYJLFBC-DOTOQJQBSA-N
• Cross-matching ID:
  PubChem CID: 134172826
  TTD ID: D0X2XN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leucyl-cysteinyl aminopeptidase (LNPEP)	TTY2KP7	LCAP_HUMAN	Inhibitor	[1]

References

• [1] Bicyclic pyridine compound. US10023583.