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Compound Detail

CHEMBL3967504

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OCCC1CCC2(CC1)CCN(c1cc(OC(F)(F)F)ccc1Cl)CC2

Basic Information

ChEMBL ID CHEMBL3967504
Phase Preclinical
Structure Type MOL
InChI Key GTNYJWYYNOSATA-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
5.40
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25ClF3NO2
MW 391.86
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.42

Activity Summary

EC50 3 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 4
CHEMBL5339
EC50 6.48 6.06 330.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28105274 10.1021/acsmedchemlett.6b00360 Free fatty acid receptor 4 2

Data from ChEMBL 36 via Core Engine