Details of the Drug

General Information of Drug (ID: DMC7XST)

Drug Name

N-Benzyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL589078; N-benzyl-10H-phenothiazine-10-carboxamide; ChemDiv3_004499; AC1LE3H3; Oprea1_734190; ZINC91218; MolPort-000-807-945; HMS1485M11; N-benzylphenothiazine-10-carboxamide; STK825822; BDBM50308407; N-benzylphenothiazin-10-ylcarboxamide; AKOS001676383; MCULE-7023337069; CCG-113838; IDI1_022409; ST51040739; N-Benzyl-1''H-phenothiazine-1''-carboxamide; AB00121381-01; SR-01000506160; SR-01000506160-1; BRD-K82322069-001-01-0

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)

4.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H16N2OS
IUPAC Name: N-benzylphenothiazine-10-carboxamide
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C20H16N2OS/c23-20(21-14-15-8-2-1-3-9-15)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h1-13H,14H2,(H,21,23)
InChIKey: ZGPOCYPNYDVRTG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 705757
TTD ID: D08ZLS

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.