Details of the Drug

General Information of Drug (ID: DMCNEXF)

Drug Name
CX4
Synonyms
AC1MBGFP; Maybridge4_002933; CX-4; GTPL7663; CCG-196; MolPort-002-912-245; HMS1529F07; MCULE-4373871510; NCGC00176395-01; BRD-A62325689-001-01-9; 1-(2-chloro-6-methylphenyl)-3-(1,2-diphenylethyl)thiourea
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): 1 Molecular Weight (mw) 380.9
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H21ClN2S
IUPAC Name
1-(2-chloro-6-methylphenyl)-3-(1,2-diphenylethyl)thiourea
Canonical SMILES
CC1=C(C(=CC=C1)Cl)NC(=S)NC(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21ClN2S/c1-16-9-8-14-19(23)21(16)25-22(26)24-20(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-14,20H,15H2,1H3,(H2,24,25,26)
InChIKey
LHTLPGOZLLOCIS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2725220
TTD ID
D0F5KY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel Kv12.2 (KCNH3) TTZ4MTQ KCNH3_HUMAN Inhibitor (gating inhibitor) [2]
Molecular Interaction Atlas (MIA) 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: 7663).
2 Deletion of the potassium channel Kv12.2 causes hippocampal hyperexcitability and epilepsy. Nat Neurosci. 2010 Sep;13(9):1056-8.