Compound Detail
CHEMBL5778273
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Basic Information
| ChEMBL ID | CHEMBL5778273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTSFFESNVBCXPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
3.32
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 2.54 | nM | 8.6 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
Data from ChEMBL 36 via Core Engine