Compound Detail
CHEMBL5284623
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Basic Information
| ChEMBL ID | CHEMBL5284623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXYHYYBXKLTNGG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
2.96
ALogP
9
HBA
3
HBD
112.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 7.67 | 7.67 | 21.2 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcr/Abl fusion protein | IC50 | = | 21.2 | nM | 7.67 | Inhibition of BCR-Abl (unknown origin) incubated for 1 hr by ADP-glo assay | 34450497 |
| Histone deacetylase 1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of full length human recombinant HDAC1 using AcLys-Tyr-Lys(e-acetyl)-... | 34450497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34450497 | 10.1016/j.ejmech.2021.113768 | Bcr/Abl fusion protein | 1 |
| 34450497 | 10.1016/j.ejmech.2021.113768 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine