Details of the Drug

General Information of Drug (ID: DM60N3C)

Drug Name

ztz240

Synonyms

ZTZ240; N-(6-chloropyridin-3-yl)-4-fluorobenzamide; 325457-98-5; N-(6-chloro-3-pyridinyl)-4-fluorobenzenecarboxamide; AC1MWVXA; SCHEMBL5214418; GTPL7668; CHEMBL1454208; cid_3780776; BDBM64871; MolPort-002-886-592; KS-00003O7V; ZINC4106322; AKOS005282280; MS-1427; MCULE-1248614968; N-(6-Chloro-3-pyridyl)-4-fluorobenzamide; KB-276144; N-(6-chloro-3-pyridyl)-4-fluoro-benzamide; N-(6-chloro-3-pyridinyl)-4-fluorobenzamide; VU0409859-1

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

250.65

Topological Polar Surface Area (xlogp)

2.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H8ClFN2O
IUPAC Name: N-(6-chloropyridin-3-yl)-4-fluorobenzamide
Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CN=C(C=C2)Cl)F
InChI: InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKey: URPKVELJRWKNQS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3780776
TTD ID: D0O4IO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv7.2 (KCNQ2)	TTPXI3S	KCNQ2_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7668).
2	Isoform-specific prolongation of Kv7 (KCNQ) potassium channel opening mediated by new molecular determinants for drug-channel interactions. J Biol Chem. 2010 Sep 3;285(36):28322-32.
3	Voltage-gated Potassium Channels as Therapeutic Drug Targets
4	Retigabine, a novel anti-convulsant, enhances activation of KCNQ2/Q3 potassium channels. Mol Pharmacol. 2000 Sep;58(3):591-600.
5	Regulation of Kv7 (KCNQ) K+ channel open probability by phosphatidylinositol 4,5-bisphosphate. J Neurosci. 2005 Oct 26;25(43):9825-35.
6	Synthesis and biological activity of substituted bis-(4-hydroxyphenyl)methanes as N-type calcium channel blockers. Bioorg Med Chem Lett. 1999 Aug 16;9(16):2447-52.
7	Zinc pyrithione-mediated activation of voltage-gated KCNQ potassium channels rescues epileptogenic mutants. Nat Chem Biol. 2007 May;3(5):287-96.
8	KCNQ2 and KCNQ3 potassium channel subunits: molecular correlates of the M-channel. Science. 1998 Dec 4;282(5395):1890-3.
9	The acrylamide (S)-1 differentially affects Kv7 (KCNQ) potassium channels. Neuropharmacology. 2006 Nov;51(6):1068-77.
10	Modulation of K(v)7 potassium channels by a novel opener pyrazolo[1,5-a]pyrimidin-7(4H)-one compound QO-58. Br J Pharmacol. 2013 Feb;168(4):1030-42.
11	The KCNQ2/3 selective channel opener ICA-27243 binds to a novel voltage-sensor domain site. Neurosci Lett. 2009 Nov 13;465(2):138-42.