Compound Detail
CHEMBL514622
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL514622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROYXIPOUVGDTAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.91
ALogP
6
HBA
1
HBD
51.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sonic hedgehog protein CHEMBL5387 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sonic hedgehog protein | IC50 | = | 30.0 | nM | 7.52 | Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase... | 19309080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19309080 | 10.1021/jm801420y | NON-PROTEIN TARGET | 3 |
| 19309080 | 10.1021/jm801420y | BXPC-3 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19309080 | 10.1021/jm801420y | Sonic hedgehog protein | 1 |
| 19309080 | 10.1021/jm801420y | Daoy | 1 |
| 19309080 | 10.1021/jm801420y | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine