Compound Detail
CHEMBL4110459
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Basic Information
| ChEMBL ID | CHEMBL4110459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTVRJTYYMLXASQ-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.59
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.34 | 8.34 | 4.5 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 4.62 | nM | 8.34 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 2 | IC50 | = | 4.53 | nM | 8.34 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
Data from ChEMBL 36 via Core Engine