Details of the Drug

General Information of Drug (ID: DM8769D)

Drug Name

N,N-Dipropyl-1'H-phenothiazine-1'-carboxamide

Synonyms

CHEMBL589063; N,N-dipropyl-10H-phenothiazine-10-carboxamide; 81225-62-9; N,N-dipropylphenothiazine-10-carboxamide; AC1M3CI8; SCHEMBL8428712; ARONIS009768; MolPort-001-593-661; ZINC2883002; KS-000041AV; BDBM50308412; STL064303; AKOS000499526; MCULE-9250306994; phenothiazin-10-yl-N,N-dipropylcarboxamide; BB0286744; ST45046508; N,N-Dipropyl-1''H-phenothiazine-1''-carboxamide

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)

326.5

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H22N2OS
IUPAC Name: N,N-dipropylphenothiazine-10-carboxamide
Canonical SMILES: CCCN(CCC)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI: InChI=1S/C19H22N2OS/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
InChIKey: VELWLEWVSKZOLN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2235291
TTD ID: D0B0ZM

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.