Details of the Drug

General Information of Drug (ID: DMAU1SZ)

• Drug Name: KKHT-10318
• Synonyms: KKHT-10318; CHEMBL388401; SCHEMBL8227931; BDBM50196478

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 426.9
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H23ClN4O3
  IUPAC Name: 3-[(4-chlorophenyl)methyl]-2,4-dioxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
  Canonical SMILES: C1CCN(C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl
  InChI: InChI=1S/C22H23ClN4O3/c23-17-6-3-15(4-7-17)14-27-21(29)18-8-5-16(13-19(18)25-22(27)30)20(28)24-9-12-26-10-1-2-11-26/h3-8,13H,1-2,9-12,14H2,(H,24,28)(H,25,30)
  InChIKey: VJRGAGPCQUZOLU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44422402
  TTD ID: D0V9CG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G)	TT729IR	CAC1G_HUMAN	Inhibitor	[1]

References

• [1] Novel T-type calcium channel blockers: dioxoquinazoline carboxamide derivatives. Bioorg Med Chem. 2007 Jan 1;15(1):365-73.