Details of the Drug

General Information of Drug (ID: DM0HK6L)

Drug Name

SB-258741

Synonyms

SB-258741; CHEMBL12624; SCHEMBL4454954; ZINC4393149; BDBM50130279; NCGC00386485-01; 4-Methyl-1-{2-[1-(toluene-3-sulfonyl)-pyrrolidin-2-yl]-ethyl}-piperidine; 4-Methyl-1-{2-[(S)-1-(toluene-3-sulfonyl)-pyrrolidin-2-yl]-ethyl}-piperidine; 4-Methyl-1-{2-[(R)-1-(toluene-3-sulfonyl)-pyrrolidin-2-yl]-ethyl}-piperidine; (R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidin-2-yl)-ethyl)-piperidine (Oxalate salt)

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)

350.5

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H30N2O2S
IUPAC Name: 4-methyl-1-[2-[(2R)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl]piperidine
Canonical SMILES: CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)C
InChI: InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
InChIKey: YVWGGGGMRDLOGA-GOSISDBHSA-N