Details of the Drug

General Information of Drug (ID: DM5K3D2)

Drug Name

N,N-Diethyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL589062; Phenothiazine-10-carboxylic acid diethylamide; N,N-diethyl-10H-phenothiazine-10-carboxamide; N,N-diethylphenothiazine-10-carboxamide; BAS 04087804; AC1LE3I9; MLS001212486; ARONIS009570; SCHEMBL7343904; ZINC91243; MolPort-001-593-657; MolPort-019-785-999; HMS1680D13; HMS2821P21; STK017216; CCG-22244; BDBM50308411; AKOS000498788; MCULE-7627155893; KS-0000415D; N,N-diethylphenothiazin-10-ylcarboxamide; SMR000518964; BB0286547; ST45046311; N,N-Diethyl-1''H-phenothiazine-1''-carboxamide; SR-01000506178; AN-329/41195338

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)

298.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H18N2OS
IUPAC Name: N,N-diethylphenothiazine-10-carboxamide
Canonical SMILES: CCN(CC)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI: InChI=1S/C17H18N2OS/c1-3-18(4-2)17(20)19-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)19/h5-12H,3-4H2,1-2H3
InChIKey: VZWXJPGNJLOWRM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 705771
TTD ID: D0K7EC

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.