Compound Detail
CHEMBL3906057
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Basic Information
| ChEMBL ID | CHEMBL3906057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLGJMOOSZNXOJW-JEUCIVTBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
631.8
MW (Da)
2.98
ALogP
10
HBA
4
HBD
155.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of hedgehog signaling pathway in mouse Shh Light2 cells assessed as i... | 27567371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27567371 | 10.1016/j.bmcl.2016.08.040 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine