Compound Detail
CHEMBL53822
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Basic Information
| ChEMBL ID | CHEMBL53822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHDLQEOXHBGVFT-SFHVURJKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
1.61
ALogP
6
HBA
4
HBD
133.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.89 | 8.6133 | 1.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 1.3 | nM | 8.89 | Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 in... | 11738566 |
| Integrin alpha-V/beta-3 | IC50 | = | 1.3 | nM | 8.89 | Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay | 12729670 |
| Integrin alpha-V/beta-3 | IC50 | = | 8.8 | nM | 8.06 | Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 c... | 12477347 |
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 |
| 12477347 | 10.1021/jm0203130 | Integrin alpha-V/beta-3 | 1 |
| 12477347 | 10.1021/jm0203130 | Integrin alpha-IIb/beta-3 | 1 |
| 12729670 | 10.1016/s0960-894x(03)00254-3 | Integrin alpha-V/beta-3 | 1 |
| 12729670 | 10.1016/s0960-894x(03)00254-3 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine