Compound Detail
CHEMBL3964783
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Basic Information
| ChEMBL ID | CHEMBL3964783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLSYHLURTGEIBH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.32
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 1/2 CHEMBL3885644 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.17 | 5.105 | 6700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 1/2 | IC50 | = | 2250.0 | nM | 5.65 | Antagonist activity at TLR1/2 in mouse RAW264.7 cells assessed as inhibition of ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CD... | 36701569 |
| Cyclin-dependent kinase 2 | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CD... | 36701569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36701569 | 10.1021/acs.jmedchem.2c01731 | Cyclin-dependent kinase 2 | 3 |
| 31784318 | 10.1016/j.bmcl.2019.126756 | Tyrosine-protein phosphatase non-receptor type 11 | 2 |
Data from ChEMBL 36 via Core Engine