Compound Detail
CHEMBL95750
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Basic Information
| ChEMBL ID | CHEMBL95750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNOOUBYTEJHUQX-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
0.47
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 8.8 | nM | 8.06 | Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 in... | 11738566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-V/beta-3 | 1 |
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine