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Compound Detail

CHEMBL2385566

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O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CCC3)cc1

Basic Information

ChEMBL ID CHEMBL2385566
Phase Preclinical
Structure Type MOL
InChI Key CGBXBUBISICLAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.00
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O2
MW 345.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
IC50 6.21 6.21 610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23602400 10.1016/j.bmcl.2013.03.104 3',5'-cyclic-AMP phosphodiesterase 4B 1

Data from ChEMBL 36 via Core Engine