Details of the Drug

General Information of Drug (ID: DM5WBMY)

Drug Name

1-(10H-phenothiazin-10-yl)-2-phenylethanone

Synonyms

CHEMBL394753; AC1LODHB; 1-(10H-phenothiazin-10-yl)-2-phenylethanone; Oprea1_136899; SCHEMBL7966578; MolPort-019-780-057; ZINC1022328; BDBM50219227; 1-phenothiazin-10-yl-2-phenylethanone; 1-(10H-Phenothiazine-10-yl)-2-phenylethanone; 1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one

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)

317.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H15NOS
IUPAC Name: 1-phenothiazin-10-yl-2-phenylethanone
Canonical SMILES: C1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
InChIKey: ODRJXAKDUXFICI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1238015
TTD ID: D0J1IX

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.