Details of the Drug

General Information of Drug (ID: DMA8LFD)

• Drug Name: KYS-05065
• Synonyms: KYS-05065; CHEMBL480968; SCHEMBL14417346; BDBM50251822; N-(4-(4-fluorophenylsulfonamido)benzyl)-2-(3-ethyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)acetamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 563.7
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C30H34FN5O3S
  IUPAC Name: 2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
  Canonical SMILES: CCN1C(C2=CC=CC=C2N=C1N3CCCCC3)CC(=O)NCC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
  InChI: InChI=1S/C30H34FN5O3S/c1-2-36-28(26-8-4-5-9-27(26)33-30(36)35-18-6-3-7-19-35)20-29(37)32-21-22-10-14-24(15-11-22)34-40(38,39)25-16-12-23(31)13-17-25/h4-5,8-17,28,34H,2-3,6-7,18-21H2,1H3,(H,32,37)
  InChIKey: PEIFDCMYVCGNKX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44568140
  TTD ID: D05MYH

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] T-type Ca2+ channel blockers suppress the growth of human cancer cells. Bioorg Med Chem Lett. 2008 Jul 15;18(14):3899-901.