Details of the Drug

General Information of Drug (ID: DM0KDSA)

Drug Name

N-Cyclopentyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL601297; AC1LE08W; Cambridge id 6793618; Oprea1_215546; ZINC88021; MolPort-002-222-847; BDBM50308399; AKOS001667643; MCULE-5831533144; N-cyclopentylphenothiazine-10-carboxamide; EU-0013438; AB00119419-01

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)

310.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H18N2OS
IUPAC Name: N-cyclopentylphenothiazine-10-carboxamide
Canonical SMILES: C1CCC(C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C18H18N2OS/c21-18(19-13-7-1-2-8-13)20-14-9-3-5-11-16(14)22-17-12-6-4-10-15(17)20/h3-6,9-13H,1-2,7-8H2,(H,19,21)
InChIKey: WVGVWICAQSPEPE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 704267
TTD ID: D04AWS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants. Bioorg Med Chem. 2010 Mar 15;18(6):2232-2244.