Compound Detail
CHEMBL3785859
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Basic Information
| ChEMBL ID | CHEMBL3785859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWVAGGZMUAPOSH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
3.62
ALogP
6
HBA
1
HBD
55.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.32
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 6.32 | 6.32 | 481.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.22 | 5.22 | 6070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 481.0 | nM | 6.32 | Inhibition of Hh signaling pathway in mouse TM3 cells assessed as downregulation... | 26976215 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 6070.0 | nM | 5.22 | Inhibition of PDE4D (unknown origin) preincubated for 5 mins followed by cAMP ad... | 26976215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26976215 | 10.1016/j.bmcl.2016.03.013 | Molecular identity unknown | 3 |
| 26976215 | 10.1016/j.bmcl.2016.03.013 | ADMET | 1 |
| 26976215 | 10.1016/j.bmcl.2016.03.013 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 26976215 | 10.1016/j.bmcl.2016.03.013 | Protein smoothened | 1 |
| 26976215 | 10.1016/j.bmcl.2016.03.013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine