Compound Detail
CHEMBL5941830
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COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5941830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDKLHPSKXZBSDU-JOCHJYFZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
3.22
ALogP
5
HBA
4
HBD
116.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.06 | 9.06 | 0.9 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.49 | 8.49 | 3.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.88 | nM | 9.06 | Kinase Inhibition Assay: The following assay protocol is for measuring the phosp... | - |
| Rho-associated protein kinase 2 | IC50 | = | 0.88 | nM | 9.06 | Kinase Inhibition : n general, kinases regulate many important cellular activiti... | - |
| Rho-associated protein kinase 1 | IC50 | = | 3.2 | nM | 8.49 | Kinase Inhibition Assay: The following assay protocol is for measuring the phosp... | - |
| Rho-associated protein kinase 1 | IC50 | = | 3.2 | nM | 8.49 | Kinase Inhibition : n general, kinases regulate many important cellular activiti... | - |
Data from ChEMBL 36 via Core Engine