Details of the Drug

General Information of Drug (ID: DMFHUGC)

Drug Name

SB 269970-A

Synonyms

SB-269970 hydrochloride; 261901-57-9; SB 269970 hydrochloride; SB269970 HCl; (R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol hydrochloride; SB-269970 (hydrochloride); (R)-3-[2-[2-(4-Methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol hydrochloride; SR-01000076135; EU-0101059; SB269970 hydrochloride; C18H29ClN2O3S; MLS002153418; SB 269970 hcl; SCHEMBL2719586; CHEMBL1256844; KS-00000XMZ; CTK8B9470; SB-269970 HCl; MolPort-003-959-592; BCP14529; Tox21_501059; MFCD03788020; ANW-62575; s2849

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

389

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C18H29ClN2O3S
IUPAC Name: 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol;hydrochloride
Canonical SMILES: CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl
InChI: InChI=1S/C18H28N2O3S.ClH/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18;/h2,5-6,14-16,21H,3-4,7-13H2,1H3;1H/t16-;/m1./s1
InChIKey: XQCJOYZLWFNDIO-PKLMIRHRSA-N