Details of the Drug

General Information of Drug (ID: DMT3GAD)

Drug Name

(10H-phenothiazin-10-yl)(phenyl)methanone

Synonyms

10h-phenothiazin-10-yl(phenyl)methanone; CHEMBL239400; phenothiazin-10-yl(phenyl)methanone; 10-BENZOYL-10H-PHENOTHIAZINE; 38076-73-2; NSC95774; 10-benzoylphenothiazine; (10H-phenothiazin-10-yl)(phenyl)methanone; AC1Q5K0F; Oprea1_507390; Oprea1_637573; SCHEMBL343497; AC1L678I; CTK4H9286; phenyl phenothiazin-10-yl ketone; DTXSID00294306; MolPort-000-182-685; ZINC402121; NSC-95774; BDBM50219217; STL371969; AKOS000279791; MCULE-2324671928

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)

303.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H13NOS
IUPAC Name: phenothiazin-10-yl(phenyl)methanone
Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C19H13NOS/c21-19(14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)20/h1-13H
InChIKey: RVBAUHGQSLEOSR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 262319
CAS Number: 38076-73-2
TTD ID: D0L3EE

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	Selective reversible inhibition of human butyrylcholinesterase by aryl amide derivatives of phenothiazine. Bioorg Med Chem. 2007 Oct 1;15(19):6367-78.