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Compound Detail

CHEMBL185150

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O=C1Nc2cc(Cl)ccc2C2(CCCCC2)N1

Basic Information

ChEMBL ID CHEMBL185150
Phase Preclinical
Structure Type MOL
InChI Key RZKMUIIMDJLAKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.7
MW (Da)
3.63
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15ClN2O
MW 250.73
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A
CHEMBL3012
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15324876 10.1016/j.bmcl.2004.07.011 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1

Data from ChEMBL 36 via Core Engine