Compound Detail
CHEMBL5590779
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Basic Information
| ChEMBL ID | CHEMBL5590779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPZFJDBFBRHBAG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
1.49
ALogP
8
HBA
3
HBD
135.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.26
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.26 | 5.26 | 5500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 13489.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 3.271 | ug.mL-1 | Rattus norvegicus |
| T1/2 | 3.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PHD2 (unknown origin) preincubated for 30 mins followed by substra... | 38189253 |
| Unchecked | EC50 | = | 5500.0 | nM | 5.26 | Induction of EPO production in human Hep3B cells incubated for 24 hrs by ELISA | 38189253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38189253 | 10.1021/acs.jmedchem.3c01932 | ADMET | 5 |
| 38189253 | 10.1021/acs.jmedchem.3c01932 | Egl nine homolog 1 | 1 |
| 38189253 | 10.1021/acs.jmedchem.3c01932 | Unchecked | 1 |
| 38189253 | 10.1021/acs.jmedchem.3c01932 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine