Compound Detail
CHEMBL5411016
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Basic Information
| ChEMBL ID | CHEMBL5411016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGCGFOZDARLLJO-UWJYYQICSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
3.67
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.1
Ki 2 meas. best 7.2
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YEATS domain-containing protein 4 CHEMBL4296266 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| YEATS domain-containing protein 4 CHEMBL4296266 | Kd | 7.1 | 6.69 | 80.0 | 2 |
| YEATS domain-containing protein 4 CHEMBL4296266 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 4.65 | 4.65 | 22300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YEATS domain-containing protein 4 | Ki | = | 63.0 | nM | 7.2 | Binding affinity to human his-tagged recombinant YEATS4 expressed in Escherichia... | 36562986 |
| YEATS domain-containing protein 4 | Kd | = | 80.0 | nM | 7.1 | Binding affinity to YEATS4 (unknown origin) assessed as dissociation constant by... | 36562986 |
| YEATS domain-containing protein 4 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of N-terminal nanoLuc-tagged YEATS4 in HEK293T cells co-transfected w... | 36562986 |
| YEATS domain-containing protein 4 | Kd | = | 530.0 | nM | 6.28 | Binding affinity to C-terminal biotin-tagged YEATS4 (unknown origin) by SPR anal... | 36562986 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 22300.0 | nM | 4.65 | 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 | 4 |
| 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