Compound Detail
CHEMBL257973
AZUMAMIDE D Enter ChEMBL ID:
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C[C@@H]1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C/C=C\CCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL257973 |
| Name | AZUMAMIDE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTSOUSRCWCZQCB-KSANXNSWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
0.07
ALogP
5
HBA
5
HBD
159.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Ki 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Histone deacetylase 3/NCoR1 CHEMBL3038484 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of HDAC from human K562 cells | 18247554 |
| Histone deacetylase 3/NCoR1 | Ki | = | 3700.0 | nM | 5.43 | Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic A... | 23865683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 1 |
| 18397826 | 10.1016/j.bmcl.2008.03.053 | Histone deacetylase 1 | 1 |
| 18397826 | 10.1016/j.bmcl.2008.03.053 | Histone deacetylase 4 | 1 |
| 18397826 | 10.1016/j.bmcl.2008.03.053 | Histone deacetylase 6 | 1 |
| 18397826 | 10.1016/j.bmcl.2008.03.053 | HeLa | 1 |
| 23865683 | 10.1021/jm4008449 | Polyamine deacetylase HDAC10 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 6 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 9 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 7 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 5 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 4 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 8 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 11 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 3/NCoR1 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 2 | 1 |
| 23865683 | 10.1021/jm4008449 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine