Compound Detail
CHEMBL482336
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL482336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROFMCPHQNWGXGE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
5
PK Parameters
10
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.22
ALogP
6
HBA
2
HBD
88.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Serine/threonine-protein kinase MRCK alpha CHEMBL4516 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 23.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 320.0 | nM | Rattus norvegicus |
| F | 35.0 | % | Rattus norvegicus |
| T1/2 | 0.7667 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of ROCK2 (unknown origin) using STK2 as substrate measured after 4 hr... | 30819619 |
| Rho-associated protein kinase 1 | IC50 | = | 3.4 | nM | 8.47 | Inhibition of ROCK1 (unknown origin) using STK2 as substrate measured after 4 hr... | 30819619 |
| Serine/threonine-protein kinase MRCK alpha | IC50 | = | 150.0 | nM | 6.82 | Inhibition of MRCKalpha | 18990570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Rattus norvegicus | 5 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Rho-associated protein kinase 2 | 2 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Unchecked | 2 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Liver microsomes | 1 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Serine/threonine-protein kinase MRCK alpha | 1 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Mitogen-activated protein kinase 10 | 1 |
| 30819619 | 10.1016/j.bmc.2019.02.047 | Rho-associated protein kinase 2 | 1 |
| 30819619 | 10.1016/j.bmc.2019.02.047 | Rho-associated protein kinase 1 | 1 |
| 30819619 | 10.1016/j.bmc.2019.02.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine