Compound Detail
CHEMBL1571017
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Basic Information
| ChEMBL ID | CHEMBL1571017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSGCYZMWGQJNNC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.64
ALogP
4
HBA
2
HBD
82.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
| RAW264.7 | IC50 | = | 10500.0 | nM | 4.98 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23499235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23499235 | 10.1016/j.bmcl.2013.02.059 | RAW264.7 | 1 |
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine