Compound Detail
CHEMBL506550
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL506550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCIBWFKSAZNJMF-WYTBTIRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
913.1
MW (Da)
1.34
ALogP
16
HBA
10
HBD
274.8
PSA (Ų)
0.12
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774 CHEMBL614123 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774 | IC50 | = | 190.0 | nM | 6.72 | Antiproliferative activity against mouse J774 cells assessed as reduction of cel... | 10757708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10757708 | 10.1021/np990231n | J774 | 1 |
| 10757708 | 10.1021/np990231n | WEHI-164 | 1 |
| 10757708 | 10.1021/np990231n | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine