Compound Detail
CHEMBL1667977
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Basic Information
| ChEMBL ID | CHEMBL1667977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVMDQFUADAHBKC-RYUDHWBXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.18
ALogP
3
HBA
2
HBD
68.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 31.62 | nM | 7.5 | Inhibition of ROCK1 by IMAP assay | 21251828 |
| Unchecked | IC50 | = | 630.96 | nM | 6.2 | Inhibition of PKA by RFBA assay | 21251828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21251828 | 10.1016/j.bmcl.2010.12.104 | Unchecked | 2 |
| 21251828 | 10.1016/j.bmcl.2010.12.104 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine