Details of the Drug

General Information of Drug (ID: DM1LHD3)

Drug Name

N-Phenyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL590537; N-phenyl-10H-phenothiazine-10-carboxamide; AC1LFFQA; Oprea1_595012; Oprea1_517446; MolPort-001-903-868; ZINC267871; N-phenylphenothiazine-10-carboxamide; STK067361; BDBM50308402; 10-(N'-phenylcarbamoyl)phenothiazine; N-phenylphenothiazin-10-ylcarboxamide; AKOS003441553; MCULE-6952834566; NCGC00280429-01; BAS 01095156; ST51030212; Phenothiazine-10-carboxylic acid phenylamide; N-Phenyl-1''H-phenothiazine-1''-carboxamide

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)

318.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H14N2OS
IUPAC Name: N-phenylphenothiazine-10-carboxamide
Canonical SMILES: C1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C19H14N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h1-13H,(H,20,22)
InChIKey: YNMBQQBSDFDHFH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 777336
TTD ID: D0D8IH

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.