Compound Detail
CHEMBL5833913
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Basic Information
| ChEMBL ID | CHEMBL5833913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUVFRIYWNZIEHL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.02
ALogP
5
HBA
3
HBD
100.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.19 | 8.8767 | 0.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.65 | nM | 9.19 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 2 | IC50 | = | 1.81 | nM | 8.74 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 2 | IC50 | = | 1.99 | nM | 8.7 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
Data from ChEMBL 36 via Core Engine