Compound Detail
CHEMBL2380786
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C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C)C[C@H]2OC(=O)C(=C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL2380786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDLLEBFMOIHMNM-GTACMHHNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.16
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator Myb CHEMBL2380186 | IC50 | 5.66 | 5.66 | 2210.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.98 | 4.98 | 10380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator Myb | IC50 | = | 2210.04 | nM | 5.66 | Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken ... | 23501116 |
| Transcriptional activator Myb | IC50 | = | 2210.0 | nM | 5.66 | Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken ... | 23501116 |
| ADMET | IC50 | = | 10380.0 | nM | 4.98 | Cytotoxicity against chicken HD11 cells assessed as cell viability after 24 hrs ... | 23501116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23501116 | 10.1016/j.ejmech.2013.02.018 | Transcriptional activator Myb | 2 |
| 23501116 | 10.1016/j.ejmech.2013.02.018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine