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

Logarithm of the Partition Coefficient (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
ChEBI ID: CHEMBL1454208
TTD ID: D0O4IO

Drug-Molecule Activity Atlas (DMA)^NEW

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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]

Molecular Interaction Atlas (MIA)

MIA Detail

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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.