Details of the Drug

General Information of Drug (ID: DMYRWQ3)

Drug Name

KYS-05074

Synonyms

KYS-05074; CHEMBL384090

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

390.5

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C24H30N4O
IUPAC Name: N-benzyl-2-(3-ethyl-2-piperidin-1-yl-4H-quinazolin-4-yl)acetamide
Canonical SMILES: CCN1C(C2=CC=CC=C2N=C1N3CCCCC3)CC(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C24H30N4O/c1-2-28-22(17-23(29)25-18-19-11-5-3-6-12-19)20-13-7-8-14-21(20)26-24(28)27-15-9-4-10-16-27/h3,5-8,11-14,22H,2,4,9-10,15-18H2,1H3,(H,25,29)
InChIKey: OTPISXIISBCQOC-UHFFFAOYSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Growth inhibition of human cancer cells in vitro by T-type calcium channel blockers. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5014-7.