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Compound Detail

CHEMBL3986483

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O=C(O)CC1CCC2(CCN(c3cc(OC(F)(F)F)ccc3Cl)CC2)OC1

Basic Information

ChEMBL ID CHEMBL3986483
Phase Preclinical
Structure Type MOL
InChI Key DIZADOFRCFKNSD-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.8
MW (Da)
4.48
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClF3NO4
MW 407.82
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.35

Activity Summary

EC50 3 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 4
CHEMBL5339
EC50 5.89 5.6033 1294.0 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