Compound Detail
CHEMBL310238
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Basic Information
| ChEMBL ID | CHEMBL310238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRASKXTVWBAFRS-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.40
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Kd 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Polycomb protein EED CHEMBL2189117 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
| Polycomb protein EED CHEMBL2189117 | Kd | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of [3H]PAF binding to human platelet activating factor receptor | 7830265 |
| Polycomb protein EED | IC50 | = | 6040.0 | nM | 5.22 | Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknow... | 28092155 |
| Unchecked | IC50 | = | 6040.0 | nM | 5.22 | Inhibition of PRC2 (unknown origin) using H3K27me0 as peptide substrate by LC-MS... | 34351144 |
| Polycomb protein EED | Kd | = | 13500.0 | nM | 4.87 | Binding affinity to his-tagged EED (76 to 441 residues) (unknown origin) express... | 37465299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830265 | 10.1021/jm00002a004 | Abelson 8.1 | 3 |
| 37465299 | 10.1021/acsmedchemlett.3c00104 | DDB1- and CUL4-associated factor 15 | 2 |
| 7830265 | 10.1021/jm00002a004 | Platelet-activating factor receptor | 1 |
| 28092155 | 10.1021/acs.jmedchem.6b01576 | Polycomb protein EED | 1 |
| 34351144 | 10.1021/acs.jmedchem.1c00226 | Unchecked | 1 |
| 37465299 | 10.1021/acsmedchemlett.3c00104 | Polycomb protein EED | 1 |
| 37465299 | 10.1021/acsmedchemlett.3c00104 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine