Details of the Drug

General Information of Drug (ID: DM2GV78)

Drug Name

RP-66784

Synonyms

IDDB5413

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

417.6

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H27N3O2S2
IUPAC Name: (1S,2R)-2-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
Canonical SMILES: CNC(=S)[C@]1(CCCC[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3
InChI: InChI=1S/C21H27N3O2S2/c1-22-20(27)21(18-9-7-14-23-16-18)13-6-5-8-17(21)12-15-24-28(25,26)19-10-3-2-4-11-19/h2-4,7,9-11,14,16-17,24H,5-6,8,12-13,15H2,1H3,(H,22,27)/t17-,21+/m1/s1
InChIKey: GLFXCUUHWBFHSB-UTKZUKDTSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Opener	[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 800003444)
2	Syntheses and biological activities of potent potassium channel openers derived from (+/-)-2-oxo-1-pyridin-3-yl-cyclohexanecarbothioic acid methylamide: new potassium channel openers. J Med Chem. 1993 May 28;36(11):1604-12.