Compound Detail
CHEMBL388290
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Basic Information
| ChEMBL ID | CHEMBL388290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQVNTIWYXFKENU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.16
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 4.95 | 5700.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxicity against Pgp overexpressing human NCI/ADR cells after 48 hrs by SRB ... | 17567121 |
| MCF7 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human MCF7 cells after 48 hrs by SRB binding assay | 17567121 |
| NON-PROTEIN TARGET | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against MRP1 overexpressing human MCF7/VP cells after 48 hrs by SRB... | 17567121 |
| ADMET | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against human T24 cells after 48 hrs by SRB binding assay | 17567121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17567121 | 10.1021/jm070194u | NON-PROTEIN TARGET | 2 |
| 17567121 | 10.1021/jm070194u | ADMET | 1 |
| 17567121 | 10.1021/jm070194u | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine