Compound Detail
CHEMBL1099030
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Basic Information
| ChEMBL ID | CHEMBL1099030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABKIKJSSEOZYNY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.04
ALogP
7
HBA
4
HBD
139.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.55 | 7.49 | 2.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.8 | nM | 8.55 | Inhibition of ROCK by enzyme-coupled luciferase-kinase assay | 20167489 |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | 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