Details of the Drug

General Information of Drug (ID: DML8MSC)

Drug Name

CL 385319

Synonyms

CHEMBL2088468; cl-385319

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

354.77

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C15H19ClF4N2O
IUPAC Name: 3-fluoro-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)benzamide;hydrochloride
Canonical SMILES: C1CCN(CC1)CCNC(=O)C2=CC(=CC(=C2)F)C(F)(F)F.Cl
InChI: InChI=1S/C15H18F4N2O.ClH/c16-13-9-11(8-12(10-13)15(17,18)19)14(22)20-4-7-21-5-2-1-3-6-21;/h8-10H,1-7H2,(H,20,22);1H
InChIKey: FEMIHMMAZDXYBI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Influenza Hemagglutinin (Influ HA)	TTF4CAM	HEMA_I34A1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion. Proc Natl Acad Sci U S A. 2008 Nov 18;105(46):17736-41.