Compound Detail
CHEMBL5439842
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
Basic Information
| ChEMBL ID | CHEMBL5439842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMHIDGFZIFNQKM-LPHOPBHVSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
2.36
ALogP
6
HBA
2
HBD
79.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.43
IC50 1 meas. best 6.52
Kd 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YEATS domain-containing protein 4 CHEMBL4296266 | Kd | 7.52 | 7.52 | 30.0 | 1 |
| YEATS domain-containing protein 4 CHEMBL4296266 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| YEATS domain-containing protein 4 CHEMBL4296266 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 4.18 | 4.18 | 66600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YEATS domain-containing protein 4 | Kd | = | 30.0 | nM | 7.52 | Binding affinity to YEATS4 (unknown origin) assessed as dissociation constant by... | 36562986 |
| YEATS domain-containing protein 4 | Ki | = | 37.0 | nM | 7.43 | Binding affinity to human his-tagged recombinant YEATS4 expressed in Escherichia... | 36562986 |
| YEATS domain-containing protein 4 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of N-terminal nanoLuc-tagged YEATS4 in HEK293T cells co-transfected w... | 36562986 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 66600.0 | nM | 4.18 | Inhibition of hERG assessed as inhibition constant by patch-clamp assay | 36562986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36562986 | 10.1021/acs.jmedchem.2c01421 | YEATS domain-containing protein 4 | 5 |
| 36562986 | 10.1021/acs.jmedchem.2c01421 | Unchecked | 4 |
| 36562986 | 10.1021/acs.jmedchem.2c01421 | ADMET | 2 |
| 36562986 | 10.1021/acs.jmedchem.2c01421 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 36562986 | 10.1021/acs.jmedchem.2c01421 | No relevant target | 1 |
| 36562986 | 10.1021/acs.jmedchem.2c01421 | Bone marrow cell | 1 |
Data from ChEMBL 36 via Core Engine