Compound Detail
CHEMBL4547880
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Cn1c(N[C@H]2C[C@H]3CCC[C@@H](C2)N3C[C@H](O)c2ccccc2)nc2cc[nH]c2c1=O
Basic Information
| ChEMBL ID | CHEMBL4547880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNDMHXNFQXCORG-DMUMMCEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.79
ALogP
6
HBA
3
HBD
86.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | Kd | 6.03 | 6.03 | 935.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | Kd | = | 935.0 | nM | 6.03 | Binding affinity to human N-terminal His-tagged PCAF by isothermal titration cal... | 30998845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30998845 | 10.1021/acs.jmedchem.9b00096 | Histone acetyltransferase KAT2B | 2 |
Data from ChEMBL 36 via Core Engine