Compound Detail
CHEMBL3219013
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Basic Information
| ChEMBL ID | CHEMBL3219013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFEYLOAZOSDFOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.32
ALogP
5
HBA
2
HBD
91.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine