Compound Detail
CHEMBL402646
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Basic Information
| ChEMBL ID | CHEMBL402646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGXUXEILGGWPJR-QPJJXVBHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
1.16
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
Ki 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UACC-903 CHEMBL612446 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
| CHL-1 CHEMBL1075422 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | Ki | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UACC-903 | IC50 | = | 9100.0 | nM | 5.04 | Cytotoxicity against human UACC-903 cells assessed as cell viability at 25 uM af... | 29133035 |
| CHL-1 | IC50 | = | 10600.0 | nM | 4.97 | Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... | 29133035 |
| Methionine aminopeptidase 1 | Ki | = | 98000.0 | nM | 4.01 | Inhibition of human methionine aminopeptidase 1 | 18343108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Methionine aminopeptidase 1 | 1 |
| 18343108 | 10.1016/j.bmcl.2008.02.066 | Unchecked | 1 |
| 29133035 | 10.1016/j.ejmech.2017.11.006 | CHL-1 | 1 |
| 29133035 | 10.1016/j.ejmech.2017.11.006 | UACC-903 | 1 |
Data from ChEMBL 36 via Core Engine