Compound Detail
CHEMBL5401470
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Basic Information
| ChEMBL ID | CHEMBL5401470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNBJCVYANBEAGR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
4.77
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.03 | 4.9 | 9300.0 | 2 |
| fMet-Leu-Phe receptor CHEMBL3359 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CD... | 36701569 |
| fMet-Leu-Phe receptor | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human FPR expressed in human U-937 cells by fluorescence based lig... | 37874947 |
| Cyclin-dependent kinase 2 | IC50 | = | 17000.0 | nM | 4.77 | 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 |
| 37874947 | 10.1021/acs.jmedchem.3c01277 | fMet-Leu-Phe receptor | 1 |
Data from ChEMBL 36 via Core Engine