Compound Detail
CHEMBL5220289
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C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL5220289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSCIBAKDEZFKCP-CRAALIILSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.06
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4010.0 | nM | 5.4 | Inhibition of human carboxylesterase using 4-benzoyl-N-butyl-1,8-naphthalimide a... | 33148492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33148492 | 10.1016/j.ejmech.2020.112960 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine