Compound Detail
CHEMBL3792888
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Basic Information
| ChEMBL ID | CHEMBL3792888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTXBFJFJUIJOQE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.41
ALogP
4
HBA
3
HBD
88.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Ki 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.32 | 6.815 | 48.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | Ki | = | 0.2 | nM | 9.7 | Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate... | 27072905 |
| Unchecked | IC50 | = | 48.0 | nM | 7.32 | Disruption of trabecular meshwork in human TM1 cells assessed as actin fiber len... | 27072905 |
| Unchecked | IC50 | = | 485.0 | nM | 6.31 | 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 | Rho-associated protein kinase 2 | 2 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Oryctolagus cuniculus | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Sodium-dependent noradrenaline transporter | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Sodium-dependent serotonin transporter | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Rho-associated protein kinase 1 | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Protein kinase C delta type | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Protein kinase C epsilon type | 1 |
| 27072905 | 10.1016/j.bmcl.2016.03.104 | Protein kinase C eta type | 1 |
Data from ChEMBL 36 via Core Engine