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Compound Detail

CHEMBL160144

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COc1ccc(C(C)Cn2ccnc2NC#N)cc1OC1CCOC1

Basic Information

ChEMBL ID CHEMBL160144
Phase Preclinical
Structure Type MOL
InChI Key FPANWOUZARXEKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.76
ALogP
7
HBA
1
HBD
81.3
PSA (Ų)
0.62
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 C18H22N4O3
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
IC50 6.71 6.71 196.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11844693 10.1016/s0960-894x(01)00817-4 Mus musculus 2
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