Compound Detail
CHEMBL568873
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Basic Information
| ChEMBL ID | CHEMBL568873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNYWBSPWOHMZNE-SNVBAGLBSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.8
MW (Da)
2.43
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Kd 3 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | Kd | 4.48 | 4.48 | 33000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | Kd | = | 33000.0 | nM | 4.48 | Binding affinity to human PHD2 by nondenaturing ESI-MS | 20025281 |
| Egl nine homolog 1 | Kd | = | 33000.0 | nM | 4.48 | Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer... | 20025281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00004E | Gamma-butyrobetaine dioxygenase | 5 |
| 20025281 | 10.1021/jm901537q | Egl nine homolog 1 | 3 |
| 23547775 | 10.1021/jm400193d | Alpha-ketoglutarate-dependent dioxygenase FTO | 2 |
| 23898798 | 10.1021/jm400769b | Unchecked | 1 |
| 34792334 | 10.1021/acs.jmedchem.1c01694 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
Data from ChEMBL 36 via Core Engine