Details of the Drug

General Information of Drug (ID: DMPJKBV)

• Drug Name: KJM429
• Synonyms: MK-056; CHEMBL228451; thiourea analogue, 1; SCHEMBL1268701; BDBM20315; N-(4-t-butylbenzyl)-N'-[4-(methyl-sulfonylamino)benzyl]thiourea
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 405.6
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H27N3O2S2
  IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea
  Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)C
  InChI: InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
  InChIKey: LOMAEJPLJSUBML-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10135969
  TTD ID: D0VM5U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Antagonist	[1]

References

• [1] High affinity antagonists of the vanilloid receptor. Mol Pharmacol. 2002 Oct;62(4):947-56.