Details of the Drug

General Information of Drug (ID: DMYL56F)

Drug Name

SB-782443

Synonyms

SB-782443; CHEMBL514691; 6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; SCHEMBL4388633; QBATWTOFDFHEDZ-UHFFFAOYSA-N

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)

377.4

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H16FN3OS
IUPAC Name: 6-(4-fluorophenyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-carboxamide
Canonical SMILES: CC1=C(C=CC(=N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)SC(=N4)C
InChI: InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
InChIKey: QBATWTOFDFHEDZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and synthesis of 6-phenylnicotinamide derivatives as antagonists of TRPV1. Bioorg Med Chem Lett. 2008 Oct 15;18(20):5609-13.