Compound Detail
CHEMBL576148
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CO[C@H]1[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(C)C)CO2
Basic Information
| ChEMBL ID | CHEMBL576148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQSCPSYPZIUHKX-KHKZNYETSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
3.20
ALogP
5
HBA
1
HBD
72.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 0.06 | nM | 10.22 | Antiproliferative activity against HUVEC after 72 hrs by MTT assay | 19929003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19929003 | 10.1021/jm901260k | HUVEC | 1 |
| 19929003 | 10.1021/jm901260k | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine