Compound Detail
CHEMBL1819265
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Basic Information
| ChEMBL ID | CHEMBL1819265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYVBOCYZRIRHIA-AATRIKPKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.41
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of HDAC1 | 21650221 |
| HCT-116 | IC50 | = | 4120.0 | nM | 5.38 | Antiproliferative activity against human HCT116 cells assessed as growth inhibit... | 21650221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21650221 | 10.1021/jm200388e | Histone deacetylase 1 | 1 |
| 21650221 | 10.1021/jm200388e | HCT-116 | 1 |
| 21650221 | 10.1021/jm200388e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21650221 | 10.1021/jm200388e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine