Compound Detail
CHEMBL3338843
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Basic Information
| ChEMBL ID | CHEMBL3338843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXPOHIHQSLOUFV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
2.93
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human recombinant ROCK-2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as... | 25248678 |
| Rho-associated protein kinase 1 | IC50 | = | 233.0 | nM | 6.63 | Inhibition of ROCK-1 (unknown origin) | 25248678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25248678 | 10.1016/j.bmcl.2014.09.002 | Rho-associated protein kinase 1 | 1 |
| 25248678 | 10.1016/j.bmcl.2014.09.002 | Rho-associated protein kinase 2 | 1 |
| 25248678 | 10.1016/j.bmcl.2014.09.002 | Serine/threonine-protein kinase N1 | 1 |
| 25248678 | 10.1016/j.bmcl.2014.09.002 | Serine/threonine-protein kinase N2 | 1 |
| 25248678 | 10.1016/j.bmcl.2014.09.002 | Protein kinase C eta type | 1 |
| 25248678 | 10.1016/j.bmcl.2014.09.002 | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine