Compound Detail
CHEMBL4448503
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1CCCCN(C)c2cc(n3ncc(C#N)c3n2)Nc2cc3c(c(c2)O1)N(C)C(=O)CC3
Basic Information
| ChEMBL ID | CHEMBL4448503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NREYYLHVEKNZSU-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.64
ALogP
8
HBA
1
HBD
98.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell lymphoma 6 protein CHEMBL4105786 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell lymphoma 6 protein | IC50 | = | 25.0 | nM | 7.6 | Inhibition of Bcl6 (unknown origin) by TR-FRET assay | 31361481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31361481 | 10.1021/acs.jmedchem.9b00716 | No relevant target | 1 |
| 31361481 | 10.1021/acs.jmedchem.9b00716 | B-cell lymphoma 6 protein | 1 |
Data from ChEMBL 36 via Core Engine