Compound Detail
CHEMBL4868412
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Cc1c(F)c(N)cc(C(=O)Nc2cc(C#CCNC(=O)c3ccc(C(=O)N(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4868412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USSJDXKXMPIJJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
605.1
MW (Da)
3.86
ALogP
6
HBA
3
HBD
111.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | IC50 | 7.22 | 7.22 | 59.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | IC50 | = | 59.7 | nM | 7.22 | 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 |
Data from ChEMBL 36 via Core Engine