Compound Detail
CHEMBL3115276
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Cc1cccc(CN2CCC3(CC2)C(=O)N(c2ccc(-c4ccccc4)cc2)c2ccc(C(=O)O)cc23)n1
Basic Information
| ChEMBL ID | CHEMBL3115276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHELAUABQBPPGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.97
ALogP
4
HBA
1
HBD
73.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cel... | 23977883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23977883 | 10.1021/jm400386j | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine