Compound Detail
CHEMBL4744560
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COc1ccc(-c2nc(C(=O)NCc3coc4ccccc34)c([C@@H](C)N)o2)c2ccc(C(F)(F)F)nc12
Basic Information
| ChEMBL ID | CHEMBL4744560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KALDTHGTYJMUAA-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
5.61
ALogP
7
HBA
2
HBD
116.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.01 | nM | 11.0 | Inhibition of recombinant human PDE4B2 using cAMP as substrate preincubated for ... | 32255344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32255344 | 10.1021/acs.jmedchem.9b02170 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine