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Compound Detail

CHEMBL5405057

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O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)OC2CC2)CC1

Basic Information

ChEMBL ID CHEMBL5405057
Phase Preclinical
Structure Type MOL
InChI Key KVLHAJQCVUNSSE-QHHAFSJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.46
ALogP
5
HBA
0
HBD
68.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18F2N2O5
MW 380.35
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 183
CHEMBL3259470
IC50 7.48 7.48 33.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38047891 10.1021/acs.jmedchem.3c01364 G-protein coupled receptor 183 1
38047891 10.1021/acs.jmedchem.3c01364 No relevant target 1

Data from ChEMBL 36 via Core Engine