Compound Detail
CHEMBL82927
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Basic Information
| ChEMBL ID | CHEMBL82927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTMCXHYHUJMORP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
0.47
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 7.32 | 7.08 | 48.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of binding to human alpha V beta3 | 12161158 |
| Integrin alpha-V/beta-3 | IC50 | = | 111.0 | nM | 6.96 | Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 in... | 11738566 |
| Integrin alpha-V/beta-3 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 c... | 12477347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161158 | 10.1016/s0960-894x(02)00396-7 | Integrin alpha-V/beta-3 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine