Compound Detail
CHEMBL3410037
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Basic Information
| ChEMBL ID | CHEMBL3410037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZEWYKHHCPIPDI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.10
ALogP
4
HBA
3
HBD
94.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 5.79 | 5.79 | 1605.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 132.0 | nM | 6.88 | Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP | 25621531 |
| Rho-associated protein kinase 2 | IC50 | = | 1605.0 | nM | 5.79 | Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substra... | 25621531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25621531 | 10.1021/jm501680m | LIM domain kinase 1 | 1 |
| 25621531 | 10.1021/jm501680m | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine