Compound Detail
CHEMBL3943998
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Basic Information
| ChEMBL ID | CHEMBL3943998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFDROCHFRBBUBF-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.82
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 9.17 | 8.205 | 0.7 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Ki | = | 0.68 | nM | 9.17 | Bromodomain Domain Binding Assay: A time-resolved fluorescence resonance energy ... | - |
| Bromodomain-containing protein 4 | Ki | = | 0.68 | nM | 9.17 | Bromodomain Domain Binding Assay: A time-resolved fluorescence resonance energy ... | - |
| Bromodomain-containing protein 4 | Ki | = | 10.9 | nM | 7.96 | Bromodomain Domain Binding Assay: A time-resolved fluorescence resonance energy ... | - |
| Bromodomain-containing protein 4 | Ki | = | 10.9 | nM | 7.96 | Bromodomain Domain Binding Assay: A time-resolved fluorescence resonance energy ... | - |
| Bromodomain-containing protein 4 | Ki | = | 15.5 | nM | 7.81 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
| Bromodomain-containing protein 4 | Ki | = | 69.9 | nM | 7.16 | TR-FRET Assay: Compound dilution series were prepared in DMSO via an approximate... | - |
Data from ChEMBL 36 via Core Engine