Compound Detail
CHEMBL5220325
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N#Cc1c(N)nc(N)nc1N1CC2(CC2)C[C@H]1c1nc(NCc2ccc(C(=O)NO)cc2)c2c(Cl)cccc2n1
Basic Information
| ChEMBL ID | CHEMBL5220325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFSLDNTVFDBWLH-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
557.0
MW (Da)
3.57
ALogP
11
HBA
5
HBD
192.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.4 | 6.4 | 398.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 398.0 | nM | 6.4 | Inhibition of HDAC6 (unknown origin) measured by fluorescence based assay | 36182802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36182802 | 10.1016/j.bmc.2022.117028 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 36182802 | 10.1016/j.bmc.2022.117028 | Histone deacetylase 6 | 1 |
| 36182802 | 10.1016/j.bmc.2022.117028 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine