Compound Detail
CHEMBL255686
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(CCCCCCNC(=O)c1ccc(NCc2cn(CCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5ccccc45)c(C(=O)O)c3)nn2)cc1)NO
Basic Information
| ChEMBL ID | CHEMBL255686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIKVCWVCYQGEQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
790.9
MW (Da)
6.03
ALogP
11
HBA
7
HBD
212.7
PSA (Ų)
0.02
QED
4
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | Kd | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | Kd | = | 2.0 | nM | 8.7 | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbam... | 18430569 |
| Histone deacetylase 6 | Kd | = | 4.6 | nM | 8.34 | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbam... | 18430569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18430569 | 10.1016/j.bmcl.2008.04.007 | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | 1 |
| 18430569 | 10.1016/j.bmcl.2008.04.007 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine