Details of the Drug

General Information of Drug (ID: DM3L76R)

Drug Name

4-methoxyphenyl 10H-phenothiazine-10-carboxylate

Synonyms

CHEMBL481872; 4-methoxyphenyl 10H-phenothiazine-10-carboxylate; SCHEMBL4453079; MolPort-004-877-802; BDBM50292614; STK354315; ZINC20085903; AKOS005442135

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

349.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H15NO3S
IUPAC Name: (4-methoxyphenyl) phenothiazine-10-carboxylate
Canonical SMILES: COC1=CC=C(C=C1)OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C20H15NO3S/c1-23-14-10-12-15(13-11-14)24-20(22)21-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKey: OFQHJDQONOGHGC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24905597
TTD ID: D01FNH

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Carbamates with differential mechanism of inhibition toward acetylcholinesterase and butyrylcholinesterase. J Med Chem. 2008 Jul 24;51(14):4200-12.