Compound Detail
CHEMBL582989
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Basic Information
| ChEMBL ID | CHEMBL582989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLWRBVLSRWMHIV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL221473 |
| Active Moiety | CHEMBL221473 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.72
ALogP
5
HBA
0
HBD
45.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 7.4 | 6.68 | 40.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 40.0 | nM | 7.4 | Vascular disrupting activity in HUVEC assessed as change in cell morphology with... | 19954252 |
| HUVEC | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against HUVEC after 72 hrs by crystal violet staining | 19954252 |
| HUVEC | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against HUVEC after 1 hr by crystal violet staining | 19954252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19954252 | 10.1021/jm900968s | HUVEC | 7 |
| 19954252 | 10.1021/jm900968s | MDA-MB-435 | 2 |
| 19954252 | 10.1021/jm900968s | No relevant target | 1 |
| 19954252 | 10.1021/jm900968s | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine