Compound Detail
CHEMBL506838
ACETYL PODOCARPIC ACID ANHYDRIDE Enter ChEMBL ID:
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CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)OC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(OC(C)=O)ccc5CC[C@@H]34)[C@@H]1CC2
Basic Information
| ChEMBL ID | CHEMBL506838 |
| Name | ACETYL PODOCARPIC ACID ANHYDRIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUJQRQRBNRGQTC-SPGSYPTKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
614.8
MW (Da)
7.33
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 9.0 | 9.0 | 1.0 | 2 |
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL2... | 16124770 |
| Oxysterols receptor LXR-beta | EC50 | = | 1.0 | nM | 9.0 | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... | - |
| Oxysterols receptor LXR-alpha | EC50 | = | 1.0 | nM | 9.0 | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 7 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 4 |
| 16124770 | 10.1021/np050182g | Oxysterols receptor LXR-beta | 3 |
| 16124770 | 10.1021/np050182g | Oxysterols receptor LXR-alpha | 3 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5715260 | Hepatocyte nuclear factor 4-alpha | 1 |
| - | 10.6019/CHEMBL5715260 | Retinoic acid receptor RXR-alpha | 1 |
| - | 10.6019/CHEMBL5715260 | Nuclear receptor subfamily 2 group C member 1 | 1 |
| - | 10.6019/CHEMBL5715260 | Nuclear receptor subfamily 2 group E member 1 | 1 |
Data from ChEMBL 36 via Core Engine