Details of the Drug

General Information of Drug (ID: DM1B8IT)

Drug Name

Apadoline

Synonyms

ACMC-20mvlw; SCHEMBL7518667; CTK8G8521; 10H-Phenothiazine-2-carboxamide,10-[(1R)-1-methyl-2-(1-pyrrolidinyl)ethyl]-N-propyl-; KXMAIWXPZGQNCR-UHFFFAOYSA-N; L001386; N-propyl-10-[1-(pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamide; N-propyl-10-[1-(1-pyrrolidinyl)-2-propyl]-2-phenothiazinecarboxamide

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

395.6

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H29N3OS
IUPAC Name: N-propyl-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carboxamide
Canonical SMILES: CCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2[C@H](C)CN4CCCC4
InChI: InChI=1S/C23H29N3OS/c1-3-12-24-23(27)18-10-11-22-20(15-18)26(17(2)16-25-13-6-7-14-25)19-8-4-5-9-21(19)28-22/h4-5,8-11,15,17H,3,6-7,12-14,16H2,1-2H3,(H,24,27)/t17-/m1/s1
InChIKey: KXMAIWXPZGQNCR-QGZVFWFLSA-N