Compound Detail
CHEMBL1083696
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
CC(C)(C)OC(=O)[C@@H]1C[C@H](CC(=O)O)[C@H]2CC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N21
Basic Information
| ChEMBL ID | CHEMBL1083696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCMGGXYQQPZFEF-FQKPHLNHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
-0.74
ALogP
7
HBA
6
HBD
200.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 6.52 | 6.52 | 304.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 304.0 | nM | 6.52 | Inhibition of integrin alphaVbeta3 | 20218623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20218623 | 10.1021/jm9018756 | Integrin alpha-V/beta-3 | 1 |
| 20218623 | 10.1021/jm9018756 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine