Compound Detail
CHEMBL360865
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CCCC[C@@H](C)C[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C[C@H](C)CCCC)NC(=O)[C@H](C)OC[C@H](C)N(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL360865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHUINNGGXBGDKM-YYTGHPBXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
924.3
MW (Da)
6.14
ALogP
9
HBA
3
HBD
171.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HMEC CHEMBL614734 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HMEC | IC50 | = | 630.0 | nM | 6.2 | inhibition of TNF-alpha-induced VCAM-1 expression in the human microvascular end... | 15341969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341969 | 10.1016/j.bmcl.2004.07.012 | HMEC | 2 |
Data from ChEMBL 36 via Core Engine