Compound Detail
CHEMBL5398730
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COc1cc(CN2CCOc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5398730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLFBZLMEAVVEOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
4.52
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Ki | 10.64 | 10.64 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Ki | = | 0.023 | nM | 10.64 | Inhibition of 6His-SUMO tagged human WDR5 (22 to 334 residues) expressed in Esch... | 38085679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38085679 | 10.1021/acs.jmedchem.3c01529 | ADMET | 3 |
| 38085679 | 10.1021/acs.jmedchem.3c01529 | WD repeat-containing protein 5 | 1 |
| 38085679 | 10.1021/acs.jmedchem.3c01529 | MV4-11 | 1 |
| 38085679 | 10.1021/acs.jmedchem.3c01529 | MOLM-13 | 1 |
| 38085679 | 10.1021/acs.jmedchem.3c01529 | K562 | 1 |
| 38085679 | 10.1021/acs.jmedchem.3c01529 | Unchecked | 1 |
| 38085679 | 10.1021/acs.jmedchem.3c01529 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine