Compound Detail
CHEMBL378530
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Basic Information
| ChEMBL ID | CHEMBL378530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQLMEWQXUAYOHO-PAFNDRTPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
4.29
ALogP
6
HBA
1
HBD
88.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 10.52 | 10.52 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 0.03 | nM | 10.52 | Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor | 16854058 |
| Integrin alpha-V/beta-3 | IC50 | = | 0.03 | nM | 10.52 | Displacement of [125I]echistatin from integrin alphaVbeta3 in human NCI-H1975 ce... | 20218623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854058 | 10.1021/jm051296s | HEY | 2 |
| 16854058 | 10.1021/jm051296s | MCF7 | 2 |
| 16854058 | 10.1021/jm051296s | MDA-MB-435 | 2 |
| 20218623 | 10.1021/jm9018756 | Integrin alpha-V/beta-3 | 2 |
| 16854058 | 10.1021/jm051296s | Integrin alpha-V/beta-3 | 1 |
| 16854058 | 10.1021/jm051296s | NCI-H1975 | 1 |
| 16854058 | 10.1021/jm051296s | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine