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Compound Detail

CHEMBL16439

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CCCC1=C(C(=O)OCc2ccc(C(=O)O)cc2)C(c2cccc(C)c2)NC(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16439
Phase Preclinical
Structure Type MOL
InChI Key DNZKFNLBALFHBF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.84
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O5
MW 408.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.76

Activity Summary

EC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 EC50 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 3400.0 nM 5.47 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