Compound Detail
CHEMBL1087423
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Basic Information
| ChEMBL ID | CHEMBL1087423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOHJYTJJQLMGIG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.02
ALogP
6
HBA
2
HBD
110.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.325 | 129.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 129.0 | nM | 6.89 | Inhibition of ROCK by enzyme-coupled luciferase-kinase assay | 20167489 |
| Unchecked | IC50 | = | 1730.0 | nM | 5.76 | Inhibition of PKA | 20167489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20167489 | 10.1016/j.bmcl.2010.01.124 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine