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Compound Detail

CHEMBL4087204

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Fc1cc2cc[nH]c2cc1F

Basic Information

ChEMBL ID CHEMBL4087204
Phase Preclinical
Structure Type MOL
InChI Key YCVSNMPGFSFANR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
2.45
ALogP
0
HBA
1
HBD
15.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5F2N
MW 153.13
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.00

Activity Summary

EC50 1 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 84
CHEMBL3714079
EC50 5.53 5.53 2970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28406627 10.1021/acs.jmedchem.6b01593 G-protein coupled receptor 84 2

Data from ChEMBL 36 via Core Engine