Details of the Drug

General Information of Drug (ID: DMRQ0ZF)

Drug Name

(10H-phenothiazin-10-yl)(p-tolyl)methanone

Synonyms

CHEMBL397100; AC1MRSS1; (10H-phenothiazin-10-yl)(p-tolyl)methanone; Oprea1_194230; MLS002608923; cid_3473393; CHEBI:93656; BDBM50219212; SMR001537727; (4-methylphenyl)-phenothiazin-10-ylmethanone

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)

5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H15NOS
IUPAC Name: (4-methylphenyl)-phenothiazin-10-ylmethanone
Canonical SMILES: CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C20H15NOS/c1-14-10-12-15(13-11-14)20(22)21-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKey: BXCIQPXSBSOIQX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3473393
ChEBI ID: CHEBI:93656
TTD ID: D01LVY

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.