Compound Detail
CHEMBL201568
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Basic Information
| ChEMBL ID | CHEMBL201568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFKTUSUEPQPBU-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.43
ALogP
8
HBA
2
HBD
119.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of Integrin alphav-beta3 receptor by SPRA assay | 16298127 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 126.0 | nM | 6.9 | Inhibition of Integrin alpha-2b-beta-3 receptor by SPRA assay | 16298127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16298127 | 10.1016/j.bmcl.2005.11.008 | Integrin alpha-V/beta-3 | 1 |
| 16298127 | 10.1016/j.bmcl.2005.11.008 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine