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Compound Detail

CHEMBL4783824

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O=c1cc(CCCc2cccc(F)c2)oc2cccc(O)c12

Basic Information

ChEMBL ID CHEMBL4783824
Phase Preclinical
Structure Type MOL
InChI Key UQTKXGIEOYITSL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.81
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15FO3
MW 298.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.34

Activity Summary

Ki 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL1833
Ki 5.6 5.6 2511.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32853682 10.1016/j.bmcl.2020.127511 5-hydroxytryptamine receptor 2B 2
32853682 10.1016/j.bmcl.2020.127511 5-hydroxytryptamine receptor 2C 1
32853682 10.1016/j.bmcl.2020.127511 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine