Details of the Drug

General Information of Drug (ID: DMTW4Q1)

• Drug Name: KKHT-20918
• Synonyms: KKHT-20918; CHEMBL224246; SCHEMBL8227894; IWAHUQRZIUVMSG-UHFFFAOYSA-N; KUC112514N; BDBM50196475; KSC-323-47-1-1; 3-(4-chlorobenzyl)-2,4-dioxo-N-(3-(piperidin-1-yl)propyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide; 3-(4-Chloro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-7-carboxylic acid (3-piperidine-1-yl-propyl)-amide

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); 454.9
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C24H27ClN4O3
  IUPAC Name: 3-[(4-chlorophenyl)methyl]-2,4-dioxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
  Canonical SMILES: C1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl
  InChI: InChI=1S/C24H27ClN4O3/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32)
  InChIKey: IWAHUQRZIUVMSG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25196851
  TTD ID: D0QM9Y

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.