Details of the Drug

General Information of Drug (ID: DMLO18H)

Drug Name

BAY-Y-5959

Indication

Disease Entry	ICD 11	Status	REF
Cardiovascular disease	BA00-BE2Z	Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

424.5

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C26H24N4O2
IUPAC Name: propan-2-yl (4R)-2-amino-5-cyano-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carboxylate
Canonical SMILES: CC1=C([C@H](C(=C(N1)N)C(=O)OC(C)C)C2=C3C=C(C=NC3=CC=C2)C4=CC=CC=C4)C#N
InChI: InChI=1S/C26H24N4O2/c1-15(2)32-26(31)24-23(21(13-27)16(3)30-25(24)28)19-10-7-11-22-20(19)12-18(14-29-22)17-8-5-4-6-9-17/h4-12,14-15,23,30H,28H2,1-3H3/t23-/m1/s1
InChIKey: PHJVBZVDUNTGNR-HSZRJFAPSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated L-type calcium channel (L-CaC)	TTXHYV6	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004756)
2	Hemodynamic effects of a calcium channel promoter, BAY y 5959, are preserved after chronic administration in ischemic heart failure in conscious dogs. J Pharmacol Exp Ther. 1998 Aug;286(2):760-6.