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]
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
PubChem CID
10149311
ChEBI ID
CHEMBL2047521
CAS Number
582323-16-8
TTD ID
D0E2FZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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