Compound Detail
CHEMBL70903
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Basic Information
| ChEMBL ID | CHEMBL70903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBKFKOUQHDZZOS-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.3
MW (Da)
5.41
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.23
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.23 | 7.23 | 58.9 | 3 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.73 | 6.73 | 187.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 59.0 | nM | 7.23 | In vitro inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 58.88 | nM | 7.23 | Inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of Phosphodiesterase 4 from human neutrophils | 11012037 |
| Phosphodiesterase 4 | Ki | = | 95.0 | nM | 7.02 | Inhibition of rolipram binding to PDE4 from human neutrophils | 11012037 |
| Homo sapiens | IC50 | = | 187.0 | nM | 6.73 | Inhibition of TNF alpha synthesis in human monocytes | 11012037 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL... | 20378348 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of PDE4 expressed in HEK293 cells coexpressing cyclic nucleotide gate... | 20378348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852946 | 10.1016/s0960-894x(03)00493-1 | Phosphodiesterase 4 | 2 |
| 11012037 | 10.1016/s0960-894x(00)00449-2 | Phosphodiesterase 4 | 2 |
| 11012037 | 10.1016/s0960-894x(00)00449-2 | Homo sapiens | 1 |
| 20378348 | 10.1016/j.bmcl.2010.03.023 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 20378348 | 10.1016/j.bmcl.2010.03.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine