Compound Detail
CHEMBL4759335
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Basic Information
| ChEMBL ID | CHEMBL4759335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNWQTGPXZCEXRZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.76
ALogP
8
HBA
2
HBD
103.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Kd 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Polycomb protein EED CHEMBL2189117 | Kd | 6.3 | 6.3 | 500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PRC2 in human G-401 cells assessed as reduction in methylation of ... | 33684441 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PRC2 (unknown origin) | 35093670 |
| Polycomb protein EED | IC50 | = | 50.0 | nM | 7.3 | Inhibition of EED (unknown origin) | 36724635 |
| Polycomb protein EED | Kd | = | 500.0 | nM | 6.3 | Binding affinity to EED (unknown origin) assessed as dissociation constant by SP... | 33684441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33684441 | 10.1016/j.bmcl.2021.127904 | No relevant target | 2 |
| 33684441 | 10.1016/j.bmcl.2021.127904 | ADMET | 2 |
| 36724635 | 10.1016/j.ejmech.2023.115101 | Polycomb protein EED | 2 |
| 33684441 | 10.1016/j.bmcl.2021.127904 | Unchecked | 1 |
| 33684441 | 10.1016/j.bmcl.2021.127904 | Polycomb protein EED | 1 |
| 35093670 | 10.1016/j.ejmech.2022.114144 | Polycomb protein EED | 1 |
| 35093670 | 10.1016/j.ejmech.2022.114144 | Unchecked | 1 |
| 35093670 | 10.1016/j.ejmech.2022.114144 | No relevant target | 1 |
| 36724635 | 10.1016/j.ejmech.2023.115101 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine