Compound Detail
CHEMBL558130
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Basic Information
| ChEMBL ID | CHEMBL558130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMVJIFRMZYAOTM-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
0.51
ALogP
6
HBA
3
HBD
130.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V CHEMBL3660 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.166 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V | IC50 | = | 11.0 | nM | 7.96 | Inhibition of fibrinogen binding to alphavbeta3 integrin | 19574045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19574045 | 10.1016/j.bmcl.2009.06.041 | ADMET | 3 |
| 19574045 | 10.1016/j.bmcl.2009.06.041 | No relevant target | 2 |
| 19574045 | 10.1016/j.bmcl.2009.06.041 | Hepatocyte | 1 |
| 19574045 | 10.1016/j.bmcl.2009.06.041 | Plasma | 1 |
| 19574045 | 10.1016/j.bmcl.2009.06.041 | Integrin alpha-V | 1 |
Data from ChEMBL 36 via Core Engine