Details of the Drug

General Information of Drug (ID: DMS9H2P)

Drug Name
ICA-105574
Synonyms ICA 105574; ICA105574
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) 334.3
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H14N2O4
IUPAC Name
3-nitro-N-(4-phenoxyphenyl)benzamide
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)
InChIKey
GDWKBKTVROCPNZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
715924
CAS Number
316146-57-3
TTD ID
D0XH1N
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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 Kv10.1 (KCNH1) TT9XKUC KCNH1_HUMAN Inhibitor (gating inhibitor) [2]
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Activator [3]
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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: 7656).
2 ICA-105574 interacts with a common binding site to elicit opposite effects on inactivation gating of EAG and ERG potassium channels. Mol Pharmacol. 2013 Apr;83(4):805-13.
3 Pharmacological removal of human ether- -go-go-related gene potassium channel inactivation by 3-nitro-N-(4-phenoxyphenyl) benzamide (ICA-105574). Mol Pharmacol. 2010 Jan;77(1):58-68.