Compound Detail
CHEMBL5179582
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Basic Information
| ChEMBL ID | CHEMBL5179582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVXLOTLIPAHCJB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.25
ALogP
9
HBA
2
HBD
114.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 2.6 | nM | 8.59 | Inhibition of HDAC1 (unknown origin) | 36449947 |
| Histone deacetylase 6 | IC50 | = | 6.3 | nM | 8.2 | Inhibition of HDAC6 (unknown origin) | 36449947 |
| Fibroblast growth factor receptor 1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of FGFR1 (unknown origin) | 36449947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36449947 | 10.1021/acs.jmedchem.2c01413 | Fibroblast growth factor receptor 1 | 3 |
| 36449947 | 10.1021/acs.jmedchem.2c01413 | Histone deacetylase 1 | 1 |
| 36449947 | 10.1021/acs.jmedchem.2c01413 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine