Compound Detail
CHEMBL5280113
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C[C@]12C(=O)CC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4
Basic Information
| ChEMBL ID | CHEMBL5280113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRUAQJXBUYEBPK-DNJDGUCCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
1.56
ALogP
9
HBA
1
HBD
125.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5461 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of GLI1 (unknown origin) transcriptional activity | 36332550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332550 | 10.1016/j.ejmech.2022.114867 | Zinc finger protein GLI1 | 1 |
Data from ChEMBL 36 via Core Engine