Compound Detail
CHEMBL249027
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Basic Information
| ChEMBL ID | CHEMBL249027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOJWHUPSORPQDS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.67
ALogP
4
HBA
2
HBD
94.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 6.22 | 5.8267 | 600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 600.0 | nM | 6.22 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Sk-He... | 17884495 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human AGS c... | 17884495 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Hep3B... | 17884495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884495 | 10.1016/j.bmcl.2007.09.005 | Molecular identity unknown | 6 |
| 17884495 | 10.1016/j.bmcl.2007.09.005 | Hypoxia-inducible factor 1-alpha | 3 |
| 17884495 | 10.1016/j.bmcl.2007.09.005 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 2 |
Data from ChEMBL 36 via Core Engine