Compound Detail
CHEMBL486929
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Basic Information
| ChEMBL ID | CHEMBL486929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKEDARFGTIXHAP-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.21
ALogP
7
HBA
1
HBD
68.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.77 | 5.68 | 1700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 780.0 | nM | 6.11 | Cytotoxicity against mouse P388 cells by MTT method | 19012996 |
| RPMI-8226 | IC50 | = | 1570.0 | nM | 5.8 | Cytotoxicity against human RPMI8226 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against human KB3-1 cells by MTT method | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 1700.0 | nM | 5.77 | Cytotoxicity against multidrug resistant human KBH5.0 cells overexpressing BCRP ... | 19012996 |
| NON-PROTEIN TARGET | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against multidrug resistant human KBV1 cells overexpressing MDR1 by... | 19012996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19012996 | 10.1016/j.ejmech.2008.09.048 | NON-PROTEIN TARGET | 3 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | P388 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | RPMI-8226 | 1 |
| 19012996 | 10.1016/j.ejmech.2008.09.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine