Compound Detail
CHEMBL5784021
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CN(C)c1ccc(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5784021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVFHUTAILOUYLO-MUUNZHRXSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
4.21
ALogP
5
HBA
3
HBD
94.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.82 | 8.82 | 1.5 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.54 | 8.54 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 1.5 | nM | 8.82 | Kinase Inhibition Assay: The following assay protocol is for measuring the phosp... | - |
| Rho-associated protein kinase 2 | IC50 | = | 1.5 | nM | 8.82 | Kinase Inhibition : n general, kinases regulate many important cellular activiti... | - |
| Rho-associated protein kinase 1 | IC50 | = | 2.9 | nM | 8.54 | Kinase Inhibition Assay: The following assay protocol is for measuring the phosp... | - |
| Rho-associated protein kinase 1 | IC50 | = | 2.9 | nM | 8.54 | Kinase Inhibition : n general, kinases regulate many important cellular activiti... | - |
Data from ChEMBL 36 via Core Engine