Details of the Drug

General Information of Drug (ID: DMR4O3I)

Drug Name

RP-66471

Synonyms

133320-02-2

Indication

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

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

354.5

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H22N2O2S
IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] benzoate
Canonical SMILES: CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)C2=CC=CC=C2)C3=CN=CC=C3
InChI: InChI=1S/C20H22N2O2S/c1-21-19(25)20(16-10-7-13-22-14-16)12-6-5-11-17(20)24-18(23)15-8-3-2-4-9-15/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3,(H,21,25)/t17-,20+/m1/s1
InChIKey: UHXSGUDTSLFJNZ-XLIONFOSSA-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	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Potassium channel opener, RP 66471, induces membrane depolarization of rat liver mitochondria. Biochem Biophys Res Commun. 1995 Feb 6;207(1):126-32.