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Compound Detail

CHEMBL22189

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COc1ccc(-c2ccc(C(N)=O)cc2)cc1O[C@H](C)CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22189
Phase Preclinical
Structure Type MOL
InChI Key DWCZVIDAHQREEV-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
5.25
ALogP
3
HBA
1
HBD
61.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO3
MW 389.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 IC50 5.71 5.71 1940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 1940.0 nM 5.71 Inhibition of Phosphodiesterase 4 8568798

Literature References

PubMed DOI Target Context # Activities
8568798 10.1021/jm9505066 Phosphodiesterase 4 2
8568798 10.1021/jm9505066 Cavia porcellus 1
8568798 10.1021/jm9505066 Mustela putorius furo 1

Data from ChEMBL 36 via Core Engine