Compound Detail
CHEMBL4636622
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Basic Information
| ChEMBL ID | CHEMBL4636622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQUOSIOGVTWRBG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.51
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
EC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL2878 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
| Histone deacetylase 6 CHEMBL2878 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Histone deacetylase 1 CHEMBL4001 | IC50 | 5.26 | 5.26 | 5540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 9.7 | nM | 8.01 | Inhibition of HDAC6 in mouse N2A cells | 32435374 |
| Histone deacetylase 6 | EC50 | = | 250.0 | nM | 6.6 | Inhibition of HDAC6 in mouse N2A cells assessed as increase in alpha tubulin ace... | 32435374 |
| Histone deacetylase 1 | IC50 | = | 5540.0 | nM | 5.26 | Inhibition of HDAC1 in mouse N2A cells | 32435374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435374 | 10.1021/acsmedchemlett.9b00560 | ADMET | 7 |
| 32435374 | 10.1021/acsmedchemlett.9b00560 | Histone deacetylase 6 | 4 |
| 32435374 | 10.1021/acsmedchemlett.9b00560 | Histone deacetylase 1 | 1 |
| 32435374 | 10.1021/acsmedchemlett.9b00560 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine