Details of the Drug

General Information of Drug (ID: DMMR7DI)

Drug Name

N-p-Tolyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL590538; AC1LIMLV; BAS 04087749; Oprea1_350347; MolPort-001-995-161; ZINC527341; STK144993; BDBM50308404; AKOS000643478; MCULE-6324715644; ST50274213; Phenothiazine-10-carboxylic acid p-tolylamide; N-(4-methylphenyl)phenothiazine-10-carboxamide; N-p-Tolyl-1''H-phenothiazine-1''-carboxamide; AB00120046-01; N-(4-methylphenyl)phenothiazin-10-ylcarboxamide; N-(4-methylphenyl)-10H-phenothiazine-10-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)

332.4

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H16N2OS
IUPAC Name: N-(4-methylphenyl)phenothiazine-10-carboxamide
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C20H16N2OS/c1-14-10-12-15(13-11-14)21-20(23)22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23)
InChIKey: AGRMZLFVKVZKOP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 934131
TTD ID: D0DR7A

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.