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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.