Details of the Drug

General Information of Drug (ID: DM9XZJN)

Drug Name

N,N-dimethyl-2,2,2-triphenylacetamide

Synonyms

N,N-Dimethyl-2,2,2-triphenylacetamide; AC1LDGNY; N,N-Dimethyl-triphenylacetamide; JGBIXOAQARJTNI-UHFFFAOYSA-N; N,N-Dimethyl-2,2,2-triphenylacetamide #; Acetamide, N,N-dimethyl-2,2,2-triphenyl-

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)

315.4

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C22H21NO
IUPAC Name: N,N-dimethyl-2,2,2-triphenylacetamide
Canonical SMILES: CN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H21NO/c1-23(2)21(24)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3
InChIKey: JGBIXOAQARJTNI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 618190
TTD ID: D05MDB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-activated potassium channel (KCN)	TTMNI76	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel inhibitors of the Gardos channel for the treatment of sickle cell disease. J Med Chem. 2008 Feb 28;51(4):976-82.