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Compound Detail

CHEMBL60073

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COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL60073
Phase Preclinical
Structure Type MOL
InChI Key RHHCALWLYKHBLR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.52
ALogP
4
HBA
2
HBD
84.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O4
MW 374.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.72

Activity Summary

IC50 2 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2111373
IC50 5.23 5.23 5910.0 1
Phosphodiesterase 4
CHEMBL2093863
IC50 5.17 5.17 6770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00334-P Phosphodiesterase 4 2

Data from ChEMBL 36 via Core Engine