Compound Detail
CHEMBL4127045
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Basic Information
| ChEMBL ID | CHEMBL4127045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWRMOVCARXMPKU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.05
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.635 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | Inhibition of hedgehog signalling in mouse Shh Light II cells co-transfected wit... | 33636537 |
| Unchecked | IC50 | = | 2.33 | nM | 8.63 | Inhibition of hedgehog signaling pathway in mouse Light2 cells after 48 hrs by G... | 29739714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29739714 | 10.1016/j.bmc.2018.04.058 | Unchecked | 2 |
| 29739714 | 10.1016/j.bmc.2018.04.058 | Medulloblastoma cell | 1 |
| 29739714 | 10.1016/j.bmc.2018.04.058 | Mus musculus | 1 |
| 33636537 | 10.1016/j.ejmech.2021.113268 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine