Compound Detail
CHEMBL3793497
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Basic Information
| ChEMBL ID | CHEMBL3793497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLNVSEUDXHVTTH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.07
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.71
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.35 | 193.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | Ki | = | 0.7 | nM | 9.15 | Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate... | 27072905 |
| Unchecked | IC50 | = | 193.0 | nM | 6.71 | Disruption of trabecular meshwork in human TM1 cells assessed as actin fiber len... | 27072905 |
| Unchecked | IC50 | = | 1015.0 | nM | 5.99 | Disruption of trabecular meshwork in porcine Trabecular meshwork cells assessed ... | 27072905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Unchecked | 2 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Oryctolagus cuniculus | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine