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Compound Detail

CHEMBL16162

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CC1=C(C(=O)OCc2ccccc2)C(c2cccc(C)c2)NC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16162
Phase Preclinical
Structure Type MOL
InChI Key OFJUXXBMQHOTJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.37
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.84
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 C20H20N2O3
MW 336.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.95

Activity Summary

EC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 EC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 15000.0 nM 4.82 In vitro cAMP accumulation in HEK 293 cells. 14980655

Literature References

PubMed DOI Target Context # Activities
14980655 10.1016/j.bmcl.2003.12.071 HEK293 2

Data from ChEMBL 36 via Core Engine