Details of the Drug

General Information of Drug (ID: DMMW8J1)

Drug Name

N-Cyclohexyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL591234; N-cyclohexyl-10H-phenothiazine-10-carboxamide; N-cyclohexylphenothiazine-10-carboxamide; AC1LE3I3; Oprea1_381015; ZINC91236; MolPort-002-173-208; BDBM50308400; STK225048; AKOS001676630; MCULE-5781141750; CCG-113839; N-cyclohexylphenothiazin-10-ylcarboxamide; 371937-04-1; ST51023365; AB00099848-01; N-Cyclohexyl-1''H-phenothiazine-1''-carboxamide; SR-01000506168

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)

324.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H20N2OS
IUPAC Name: N-cyclohexylphenothiazine-10-carboxamide
Canonical SMILES: C1CCC(CC1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C19H20N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h4-7,10-14H,1-3,8-9H2,(H,20,22)
InChIKey: OKOVWMHSIFSGRG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 705769
TTD ID: D09GKY

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	Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants. Bioorg Med Chem. 2010 Mar 15;18(6):2232-2244.