Compound Detail
CHEMBL4790505
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Basic Information
| ChEMBL ID | CHEMBL4790505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZDYWTRPAXOUIR-QFIPXVFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.45
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.3 | 6.15 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of BRD4 in human HEL cells harboring JAK2 V617F mutant assessed as de... | 33062175 |
| Bromodomain-containing protein 4 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of BRD4 in human MOLM-14 cells harboring FLT3-ITD mutant assessed as ... | 33062175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062175 | 10.1021/acsmedchemlett.9b00625 | Bromodomain-containing protein 4 | 17 |
| 33062175 | 10.1021/acsmedchemlett.9b00625 | Unchecked | 11 |
| 33062175 | 10.1021/acsmedchemlett.9b00625 | Bromodomain-containing protein 2 | 1 |
| 33062175 | 10.1021/acsmedchemlett.9b00625 | HEL | 1 |
| 33062175 | 10.1021/acsmedchemlett.9b00625 | MOLM-14 | 1 |
| 33062175 | 10.1021/acsmedchemlett.9b00625 | K562 | 1 |
Data from ChEMBL 36 via Core Engine