Compound Detail
CHEMBL4447149
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Basic Information
| ChEMBL ID | CHEMBL4447149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZEJSNMITKBPGZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.87
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 320.0 | nM | 6.5 | Inhibition of HIF1alpha transcriptional activity in hypoxia-induced human HCCLM3... | 31556611 |
| Unchecked | IC50 | = | 4570.0 | nM | 5.34 | Inhibition of HIF-1 (unknown origin) expressed in MH7A cells cotransfected with ... | 38688063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31556611 | 10.1021/acs.jmedchem.9b01313 | MDA-MB-231 | 11 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | Hypoxia-inducible factor 1-alpha | 5 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | HUVEC | 4 |
| 38688063 | 10.1016/j.ejmech.2024.116417 | Unchecked | 3 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | HCCLM3 | 2 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | SK-OV-3 | 1 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | HeLa | 1 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | Danio rerio | 1 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine