Details of the Drug

General Information of Drug (ID: DM14L7O)

Drug Name

N-Isopropyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL592185; N-isopropyl-10H-phenothiazine-10-carboxamide; N-propan-2-ylphenothiazine-10-carboxamide; Oprea1_607910; MLS001196405; ARONIS009672; AC1LE088; SCHEMBL11315494; ZINC88005; MolPort-000-803-539; MolPort-019-786-000; HMS1587K22; HMS2859K14; STK126366; BDBM50308429; AKOS000498951; MCULE-3571561994; CCG-113325; SMR000556300; 81225-58-3; BB0286649; N-(methylethyl)phenothiazin-10-ylcarboxamide; EU-0046799; ST45046412; KS-00004187; N-Isopropyl-1''H-phenothiazine-1''-carboxamide; AN-329/41195442

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)

284.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H16N2OS
IUPAC Name: N-propan-2-ylphenothiazine-10-carboxamide
Canonical SMILES: CC(C)NC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI: InChI=1S/C16H16N2OS/c1-11(2)17-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-11H,1-2H3,(H,17,19)
InChIKey: DIHZRSIYRBANNR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 704259
TTD ID: D0K3YM

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.