Details of the Drug

General Information of Drug (ID: DMGEMQX)

Drug Name

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

Synonyms

CHEMBL392577; anthracen-10-yl(10H-phenothiazin-10-yl)methanone; BDBM50219206; 10-(9-Anthrylcarbonyl)Phenothiazine; Anthracen-9-yl (10H-phenothiazine-10yl) methanone, 5

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)

403.5

Logarithm of the Partition Coefficient (xlogp)

7.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C27H17NOS
IUPAC Name: anthracen-9-yl(phenothiazin-10-yl)methanone
Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64
InChI: InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
InChIKey: GEDDVJWUHICGPI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44435223
TTD ID: D00AHD

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.