Details of the Drug

General Information of Drug (ID: DMHEYOK)

Drug Name

(1'H-Phenothiazin-1'-yl)(piperidin-1-yl)methanone

Synonyms

CHEMBL589252; Phenothiazin-10-yl-piperidin-1-yl-methanone; AC1LE3IL; ChemDiv3_004237; Oprea1_668518; ZINC91249; MolPort-001-995-166; HMS1485A13; STK004206; BDBM50308415; AKOS000643159; CCG-113845; MCULE-9139922844; IDI1_022147; BAS 04087808; phenothiazin-10-yl(piperidin-1-yl)methanone; SR-01000506180; 10H-phenothiazin-10-yl(piperidin-1-yl)methanone; SR-01000506180-1

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)

310.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H18N2OS
IUPAC Name: phenothiazin-10-yl(piperidin-1-yl)methanone
Canonical SMILES: C1CCN(CC1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C18H18N2OS/c21-18(19-12-6-1-7-13-19)20-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)20/h2-5,8-11H,1,6-7,12-13H2
InChIKey: ZYAXTAFPNAMCKA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 705775
TTD ID: D09OPL

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.