Details of the Drug

General Information of Drug (ID: DM4CDYG)

Drug Name

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

Synonyms

N,N-dimethyl-10H-phenothiazine-10-carboxamide; CHEMBL592674; ARONIS26337; AC1M461Y; MolPort-003-255-540; HMS1760L14; ZINC3014186; KS-000047ZJ; STL261388; BDBM50308410; AKOS001144998; MCULE-9126277852; N,N-dimethylphenothiazine-10-carboxamide; 51858-81-2; BB0294327; SR-01000030731; N,N-Dimethyl-1''H-phenothiazine-1''-carboxamide; SR-01000030731-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

270.4

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H14N2OS
IUPAC Name: N,N-dimethylphenothiazine-10-carboxamide
Canonical SMILES: CN(C)C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI: InChI=1S/C15H14N2OS/c1-16(2)15(18)17-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)17/h3-10H,1-2H3
InChIKey: JVEMOBBCUXTLCS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2301676
TTD ID: D0B6IQ

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]

------------------------------------------------------------------------------------

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.