Details of the Drug

General Information of Drug (ID: DM69MKU)

Drug Name
F3
Synonyms
1-Chloro-1,2,2-trifluorocyclobutane; 661-71-2; Cyclobutane, 1-chloro-1,2,2-trifluoro-; 1-Ctfcb; AC1Q4KXO; AC1L2WN1; GTPL2400; SCHEMBL3123282; CTK5C3598; MolPort-001-773-111; ZX-AP007208; 7606AE; PC2028; 7607AE; FCH917920; SBB086362; MFCD00042139; AKOS006230600; Cyclobutane,1-chloro-1,2,2-trifluoro-; TR-022419; FT-0607576; C-47497; I14-28177
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) 144.52
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H4ClF3
IUPAC Name
1-chloro-1,2,2-trifluorocyclobutane
Canonical SMILES
C1CC(C1(F)F)(F)Cl
InChI
InChI=1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2
InChIKey
ZZQYDYODFHABLC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
79091
CAS Number
661-71-2
TTD ID
D0P0ZB
VARIDT ID
DR01109

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inward rectifier potassium channel Kir3.2 (KCNJ6) TTTIBVP KCNJ6_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: 2400).
2 Differential effects of general anesthetics on G protein-coupled inwardly rectifying and other potassium channels. Anesthesiology. 2001 Jul;95(1):144-53.