Details of the Drug

General Information of Drug (ID: DM05L3S)

Drug Name

Morpholino(1'H-phenothiazin-1'-yl)methanone

Synonyms

CHEMBL590511; 10-(4-morpholinylcarbonyl)-10H-phenothiazine; Morpholin-4-yl-phenothiazin-10-yl-methanone; AC1LE3IO; morpholin-4-yl(phenothiazin-10-yl)methanone; Oprea1_836979; MLS000557099; ARONIS009572; ZINC91251; MolPort-019-748-219; MolPort-001-510-993; HMS2479C10; BDBM50308416; STK144997; AKOS000498790; MCULE-6825355538; KS-0000415F; BAS 04087810; SMR000178119; morpholin-4-yl phenothiazin-10-yl ketone; BB0286549; ST45046313; Morpholino(1''H-phenothiazin-1''-yl)methanone; AN-329/40200546

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)

312.4

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H16N2O2S
IUPAC Name: morpholin-4-yl(phenothiazin-10-yl)methanone
Canonical SMILES: C1COCCN1C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
InChI: InChI=1S/C17H16N2O2S/c20-17(18-9-11-21-12-10-18)19-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)19/h1-8H,9-12H2
InChIKey: PWLGMYUBQYNSQV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 705776
TTD ID: D09HZE

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.