Compound Detail
CHEMBL4168030
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Basic Information
| ChEMBL ID | CHEMBL4168030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOPFZUWZGJKJKA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4300881 |
| Active Moiety | CHEMBL4300881 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
0.98
ALogP
6
HBA
3
HBD
116.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.38
IC50 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 850.0 | nM | 6.07 | Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC ... | 29259755 |
| Egl nine homolog 1 | EC50 | = | 4200.0 | nM | 5.38 | Inhibition of PHD2 in human Hep3B cells assessed as increase in EPO release afte... | 29259755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Egl nine homolog 1 | 2 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Rattus norvegicus | 2 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | ADMET | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine