Compound Detail
CHEMBL26158
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Basic Information
| ChEMBL ID | CHEMBL26158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJFMWJBCHKSLQZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
1.79
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Histone deacetylase 8 CHEMBL3797017 | IC50 | 4.92 | 4.92 | 12022.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Tested for inhibitory concentration required to inhibit 50% of histone deacetyla... | 11992774 |
| HCT-116 | IC50 | = | 7600.0 | nM | 5.12 | Tested for antiproliferative activity against HCT116 colorectal human carcinoma ... | 11992774 |
| Histone deacetylase 8 | IC50 | = | 12022.64 | nM | 4.92 | Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate... | 28259528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11992774 | 10.1016/s0960-894x(02)00175-0 | HCT-116 | 1 |
| 11992774 | 10.1016/s0960-894x(02)00175-0 | Unchecked | 1 |
| 28259528 | 10.1016/j.bmc.2017.02.020 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine