Details of the Drug

General Information of Drug (ID: DMTY43L)

Drug Name

Nortropinyl-arylsulfonylurea 3

Synonyms

CHEMBL333727; BDBM50134335; Benzeneacetic acid (1alpha,5alpha)-8-[3-(4-chlorophenylsulfonyl)ureido]-8-azabicyclo[3.2.1]octane-3beta-yl ester; 8-[N-(4-chlorophenylsulfonamido)-carbonyl amino]-8-azabicyclo[3.2.1]oct-3-yl 2-phenylacetate

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)

478

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H24ClN3O5S
IUPAC Name: [(1R,5S)-8-[(4-chlorophenyl)sulfonylcarbamoylamino]-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate
Canonical SMILES: C1C[C@H]2CC(C[C@@H]1N2NC(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl)OC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C22H24ClN3O5S/c23-16-6-10-20(11-7-16)32(29,30)25-22(28)24-26-17-8-9-18(26)14-19(13-17)31-21(27)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H2,24,25,28)/t17-,18+,19?
InChIKey: JLAXGKPNMOZKMF-DFNIBXOVSA-N