Compound Detail
CHEMBL333019
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Basic Information
| ChEMBL ID | CHEMBL333019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCRUFWDIRARGLM-INIZCTEOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
-0.29
ALogP
6
HBA
6
HBD
183.7
PSA (Ų)
0.15
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.74 | 8.355 | 1.8 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 1.8 | nM | 8.74 | Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor | 11020288 |
| Integrin alpha-V/beta-3 | IC50 | = | 10.7 | nM | 7.97 | Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombi... | 11020288 |
| Homo sapiens | IC50 | = | 17.0 | nM | 7.77 | In vitro inhibition of the rate of ADP-stimulated human gel-filtered platelet ag... | 11020288 |
| Rattus norvegicus | IC50 | = | 300.0 | nM | 6.52 | In vivo inhibition of rat osteoclast-mediated bone resorption (BONE RES) | 11020288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020288 | 10.1021/jm000133v | Integrin alpha-V/beta-3 | 2 |
| 11020288 | 10.1021/jm000133v | Rattus norvegicus | 1 |
| 11020288 | 10.1021/jm000133v | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine