Details of the Drug

General Information of Drug (ID: DMIJH7W)

Drug Name

(3-bromophenyl)(10H-phenothiazin-10-yl)methanone

Synonyms

CHEMBL239616; (3-bromophenyl)(10H-phenothiazin-10-yl)methanone; (3-Bromo-phenyl)-phenothiazin-10-yl-methanone; AC1LCW7V; ChemDiv1_023786; C19H12BrNOS; HMS654J04; XWGLMCFWNRNHDU-UHFFFAOYSA-N; MolPort-002-545-921; 10-(3-Bromobenzoyl)phenothiazine; ZINC4785817; STL361327; BDBM50219221; AKOS001639315; MCULE-3829813488; BAS 00721881; 10-(3-Bromobenzoyl)-10H-phenothiazine #; (3-bromophenyl)-phenothiazin-10-ylmethanone; EU-0008504; SR-01000465493; SR-01000465493-1

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): 1

Molecular Weight (mw)

382.3

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H12BrNOS
IUPAC Name: (3-bromophenyl)-phenothiazin-10-ylmethanone
Canonical SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)Br
InChI: InChI=1S/C19H12BrNOS/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)21/h1-12H
InChIKey: XWGLMCFWNRNHDU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 607810
TTD ID: D0J8LQ

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.