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Compound Detail

CHEMBL350482

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Oc1nccn1CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CC1

Basic Information

ChEMBL ID CHEMBL350482
Phase Preclinical
Structure Type MOL
InChI Key MIWHWBZDGOPRTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.24
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.80
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 C19H22F2N2O3
MW 364.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
IC50 7.41 7.41 39.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11844693 10.1016/s0960-894x(01)00817-4 3',5'-cyclic-AMP phosphodiesterase 4B 1
11844693 10.1016/s0960-894x(01)00817-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine