Compound Detail
CHEMBL99287
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Basic Information
| ChEMBL ID | CHEMBL99287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYYJCAJRBQEMSD-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
1.45
ALogP
6
HBA
3
HBD
127.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 12.0 | nM | 7.92 | Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 in... | 11738566 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation med... | 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 | Mus musculus | 1 |
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine