Compound Detail
CHEMBL376893
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(C(CC(=O)O)NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL376893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCPZTHQHJHVUCK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.55
ALogP
6
HBA
4
HBD
126.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 9.15 | 8.545 | 0.7 | 2 |
| Integrin alpha-2/beta-3 CHEMBL2111461 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Plasma CHEMBL613652 | IC50 | 7.94 | 7.94 | 11.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-2/beta-3 | IC50 | = | 0.7 | nM | 9.15 | Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human ac... | 16919941 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 0.7 | nM | 9.15 | Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assess... | 20598885 |
| Plasma | IC50 | = | 11.6 | nM | 7.94 | Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma by ... | 16919941 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 11.6 | nM | 7.94 | Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich p... | 20598885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20598885 | 10.1016/j.bmcl.2010.06.051 | Integrin alpha-IIb/beta-3 | 2 |
| 16919941 | 10.1016/j.bmcl.2006.07.090 | Integrin alpha-2/beta-3 | 1 |
| 16919941 | 10.1016/j.bmcl.2006.07.090 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine