Compound Detail
CHEMBL498230
OLEANDEROLIDE Enter ChEMBL ID:
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CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]14C
Basic Information
| ChEMBL ID | CHEMBL498230 |
| Name | OLEANDEROLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXELEGXSGVFEND-NVTHVPAHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
5.88
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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 |
|---|---|---|---|
| 24361521 | 10.1016/j.ejmech.2013.11.025 | A2780 | 10 |
| 20964318 | 10.1021/np100064m | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 23531458 | 10.1016/j.ejmech.2013.03.001 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 24326278 | 10.1016/j.bmc.2013.11.034 | DNA topoisomerase 2-alpha | 2 |
| 15730243 | 10.1021/np040072u | ADMET | 1 |
| 15730243 | 10.1021/np040072u | WI-38 VA13 | 1 |
| 15730243 | 10.1021/np040072u | NON-PROTEIN TARGET | 1 |
| 23531458 | 10.1016/j.ejmech.2013.03.001 | 3T3-L1 | 1 |
| 24326278 | 10.1016/j.bmc.2013.11.034 | DNA topoisomerase 1 | 1 |
| 24361521 | 10.1016/j.ejmech.2013.11.025 | NON-PROTEIN TARGET | 1 |
| 24361521 | 10.1016/j.ejmech.2013.11.025 | NIH3T3 | 1 |
| 24361521 | 10.1016/j.ejmech.2013.11.025 | MCF7 | 1 |
| 24361521 | 10.1016/j.ejmech.2013.11.025 | HT-29 | 1 |
| 24361521 | 10.1016/j.ejmech.2013.11.025 | A549 | 1 |
| 24361521 | 10.1016/j.ejmech.2013.11.025 | 8505C | 1 |
| 33148492 | 10.1016/j.ejmech.2020.112960 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine