Details of the Drug

General Information of Drug (ID: DM1RZVI)

Drug Name

ICA-69673

Synonyms

ICA-069673; Ion channel modulators (epilepsy), ICAgen; Ion channel modulators, ICAgen/ArQule

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Preclinical	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

269.63

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C11H6ClF2N3O
IUPAC Name: N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide
Canonical SMILES: C1=CC(=C(C=C1C(=O)NC2=CN=C(N=C2)Cl)F)F
InChI: InChI=1S/C11H6ClF2N3O/c12-11-15-4-7(5-16-11)17-10(18)6-1-2-8(13)9(14)3-6/h1-5H,(H,17,18)
InChIKey: IIBSHMFXVWTQSJ-UHFFFAOYSA-N

Cross-matching ID

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	Modulator	[2]
Voltage-gated potassium channel Kv7.3 (KCNQ3)	TTIVDM3	KCNQ3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011004)
2	Voltage-gated Potassium Channels as Therapeutic Drug Targets