Compound Detail
CHEMBL4166742
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Basic Information
| ChEMBL ID | CHEMBL4166742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPZAJOSLAXGKFI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4297619 |
| Active Moiety | CHEMBL4297619 |
1
Targets
2
Activities
2
Assay Types
6
PK Parameters
15
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
1.03
ALogP
6
HBA
3
HBD
116.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | EC50 | 5.24 | 5.24 | 5700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.7 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 7933.24 | nM | Rattus norvegicus |
| F | 75.0 | % | Rattus norvegicus |
| MRT | 1.8 | hr | Rattus norvegicus |
| T1/2 | 1.4 | hr | Rattus norvegicus |
| Tmax | 0.33 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC ... | 29259755 |
| Egl nine homolog 1 | EC50 | = | 5700.0 | nM | 5.24 | 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 | Rattus norvegicus | 10 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | ADMET | 5 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Egl nine homolog 1 | 2 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | No relevant target | 2 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Mus musculus | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 3A4 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 3A5 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 2C9 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 2D6 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 1A2 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 2A6 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 2C19 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 2C8 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Cytochrome P450 2B6 | 1 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine