Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3617113

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617113
Phase Preclinical
Structure Type MOL
InChI Key ZLHBKTQYJQZOKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

348.8
MW (Da)
5.31
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9ClF4N2S
MW 348.75
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.34

Activity Summary

Ki 1 meas. best 10.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL322
 Ki 10.37 10.37 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 0.043 nM 10.37 Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain c... 27061981

Literature References

PubMed DOI Target Context # Activities
26119992 10.1016/j.ejmech.2015.06.027 Staphylococcus epidermidis 46
26119992 10.1016/j.ejmech.2015.06.027 Staphylococcus aureus 24
26119992 10.1016/j.ejmech.2015.06.027 Topoisomerase IV 24
26119992 10.1016/j.ejmech.2015.06.027 DNA topoisomerase 4 20
27061981 10.1016/j.ejmech.2016.03.073 Mus musculus 12
26119992 10.1016/j.ejmech.2015.06.027 Mycobacterium tuberculosis 3
26119992 10.1016/j.ejmech.2015.06.027 ADMET 3
26119992 10.1016/j.ejmech.2015.06.027 HaCaT 2
26119992 10.1016/j.ejmech.2015.06.027 Micrococcus luteus 2
26119992 10.1016/j.ejmech.2015.06.027 NON-PROTEIN TARGET 2
26119992 10.1016/j.ejmech.2015.06.027 Human immunodeficiency virus 1 1
26119992 10.1016/j.ejmech.2015.06.027 Rice stripe virus 1
26119992 10.1016/j.ejmech.2015.06.027 Poliovirus 1 1
26119992 10.1016/j.ejmech.2015.06.027 Coxsackievirus B5 1
26119992 10.1016/j.ejmech.2015.06.027 Yellow fever virus 1
26119992 10.1016/j.ejmech.2015.06.027 Enterococcus hirae 1
26119992 10.1016/j.ejmech.2015.06.027 MT4 1
26119992 10.1016/j.ejmech.2015.06.027 Bacillus subtilis 1
26119992 10.1016/j.ejmech.2015.06.027 Bacillus cereus 1
26119992 10.1016/j.ejmech.2015.06.027 Proteus vulgaris 1

Data from ChEMBL 36 via Core Engine