Details of the Drug

General Information of Drug (ID: DM4F96I)

• Drug Name: KKHT-11018
• Synonyms: KKHT-11018; CHEMBL225485; BDBM50196480

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); 469
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C25H29ClN4O3
  IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
  Canonical SMILES: CCC1CCCCN1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CC4=CC=C(C=C4)Cl
  InChI: InChI=1S/C25H29ClN4O3/c1-2-20-5-3-4-13-29(20)14-12-27-23(31)18-8-11-21-22(15-18)28-25(33)30(24(21)32)16-17-6-9-19(26)10-7-17/h6-11,15,20H,2-5,12-14,16H2,1H3,(H,27,31)(H,28,33)
  InChIKey: FKCDNDBJVOQPJB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44422187
  TTD ID: D0Y4WI

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.