Compound Detail
CHEMBL4573672
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COCC1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)CCC1(F)F
Basic Information
| ChEMBL ID | CHEMBL4573672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMOMRWVRGOTDAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.0
MW (Da)
3.80
ALogP
9
HBA
2
HBD
97.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1000.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 200.0 | nM | 6.7 | Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL... | 32275432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32275432 | 10.1021/acs.jmedchem.9b02076 | B-cell lymphoma 6 protein | 3 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | No relevant target | 2 |
| 32275432 | 10.1021/acs.jmedchem.9b02076 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine