Compound Detail
CHEMBL4878567
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Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)ccc2N2CCN(C)CC2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4878567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMVQTQJEPRFHFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.0
MW (Da)
4.74
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | IC50 | 7.0 | 7.0 | 98.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | IC50 | = | 98.8 | nM | 7.0 | Displacement of 10mer-Thr-FAM probe from WDR5 (unknown origin) incubated for 30 ... | 34225179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34225179 | 10.1016/j.ejmech.2021.113677 | WD repeat-containing protein 5 | 1 |
| 34225179 | 10.1016/j.ejmech.2021.113677 | ADMET | 1 |
| 34225179 | 10.1016/j.ejmech.2021.113677 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine