Details of the Drug

General Information of Drug (ID: DMPINBR)

Drug Name

4-chlorophenyl 10H-phenothiazine-10-carboxylate

Synonyms

CHEMBL481530; 4-chlorophenyl 10H-phenothiazine-10-carboxylate; SCHEMBL4442850; ZINC27529769; BDBM50292625; AKOS002279099; 4-chlorophenyl phenothiazine-10-carboxylate

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)

353.8

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H12ClNO2S
IUPAC Name: (4-chlorophenyl) phenothiazine-10-carboxylate
Canonical SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H12ClNO2S/c20-13-9-11-14(12-10-13)23-19(22)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12H
InChIKey: OTLLKYSWTVZPOJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16645663
TTD ID: D04IXN

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