Compound Detail
CHEMBL2373039
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@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)NNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL2373039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLJAASOTTFNJHX-JPLJXNOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
589.6
MW (Da)
-2.08
ALogP
7
HBA
8
HBD
250.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 6.0 | nM | 8.22 | Inhibitory activity against vitronectin receptor (alpha V beta 3) | 11384239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384239 | 10.1021/jm0004953 | Integrin alpha-V/beta-3 | 1 |
| 11384239 | 10.1021/jm0004953 | Integrin alpha-V/beta-3 and alpha-IIb/beta 3 | 1 |
Data from ChEMBL 36 via Core Engine