Compound Detail
CHEMBL5423225
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COC(=O)[C@@]12C(=O)N[C@@H](Cc3ccccc3)[C@@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2CCOCCc1ccc(OC)cc1
Basic Information
| ChEMBL ID | CHEMBL5423225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRHNRYRKKPNHKD-ZXVPGYEFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
3.58
ALogP
6
HBA
1
HBD
86.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20620.0 | nM | 4.69 | Cytotoxicity against human BLM cells assessed as inhibition of cell growth incub... | 38283219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38283219 | 10.1039/d3md00535f | Unchecked | 2 |
| 38283219 | 10.1039/d3md00535f | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine