Details of the Drug

General Information of Drug (ID: DM52H1D)

Drug Name

Phenyl 10H-phenothiazine-10-carboxylate

Synonyms

CHEMBL481687; 66721-07-1; 10H-Phenothiazine-10-carboxylic acid, phenyl ester; Phenyl Phenothiazine-10-carboxylate; AC1MXYWS; phenyl 10H-phenothiazine-10-carboxylate; SCHEMBL4441681; CTK1H9487; DTXSID00396233; BDBM50292620

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)

319.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H13NO2S
IUPAC Name: phenyl phenothiazine-10-carboxylate
Canonical SMILES: C1=CC=C(C=C1)OC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C19H13NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h1-13H
InChIKey: FGMRQVNHYGGLSF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3773589
CAS Number: 66721-07-1
TTD ID: D0V7EK

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.