Compound Detail
CHEMBL4080730
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Basic Information
| ChEMBL ID | CHEMBL4080730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQAPPDDZGLLQAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.28
ALogP
6
HBA
0
HBD
68.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha CHEMBL3885588 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HIF-1 pathway in human LN229 cells harboring HRE-AP assessed sa re... | 28285917 |
| Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HIF-1alpha (unknown origin)/p300 (unknown origin) protein-protein ... | 30819620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28285917 | 10.1016/j.bmcl.2017.02.073 | Unchecked | 1 |
| 30819620 | 10.1016/j.bmc.2019.01.042 | Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine