Compound Detail
CHEMBL2312530
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Basic Information
| ChEMBL ID | CHEMBL2312530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNCNQHCDQMPPGD-HNENSFHCSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
1.61
ALogP
7
HBA
2
HBD
126.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.0
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | Kd | 7.0 | 6.98 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escheric... | 23234607 |
| Egl nine homolog 1 | Kd | = | 100.0 | nM | 7.0 | Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Es... | 23234607 |
| Egl nine homolog 1 | Kd | = | 110.0 | nM | 6.96 | Displacement of [13C]-2OG from catalytic domain of PHD2 (181 to 426) (unknown or... | 23234607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23234607 | 10.1021/jm301583m | Egl nine homolog 1 | 4 |
| 23234607 | 10.1021/jm301583m | Lysine-specific demethylase 2A | 1 |
Data from ChEMBL 36 via Core Engine