Compound Detail
CHEMBL4463486
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COc1cc(CN2CCc3c(cc(Cn4cnn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL4463486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPAOKXUQYUWDHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.08
ALogP
7
HBA
1
HBD
85.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 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 | Kd | = | 0.023 | nM | 10.64 | Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 resi... | 31858797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31858797 | 10.1021/acs.jmedchem.9b01608 | Unchecked | 2 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | MV4-11 | 1 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | MOLM-13 | 1 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | K562 | 1 |
| 31858797 | 10.1021/acs.jmedchem.9b01608 | WD repeat-containing protein 5 | 1 |
Data from ChEMBL 36 via Core Engine