Compound Detail
CHEMBL1269082
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Basic Information
| ChEMBL ID | CHEMBL1269082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJLFGYICIMYMGX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
2.04
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.32 | 5.32 | 4760.0 | 1 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 4760.0 | nM | 5.32 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 20846862 |
| LIM domain kinase 1 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
| RAW264.7 | IC50 | = | 11300.0 | nM | 4.95 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23499235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20846862 | 10.1016/j.bmcl.2010.08.088 | HepG2 | 1 |
| 23499235 | 10.1016/j.bmcl.2013.02.059 | RAW264.7 | 1 |
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine