Compound Detail
CHEMBL4465902
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CCCCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL4465902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQGQXFRCIYCGOE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
779.9
MW (Da)
4.49
ALogP
12
HBA
5
HBD
217.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.13
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| MM1.S CHEMBL4296471 | EC50 | 7.13 | 7.13 | 74.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 8.7 | nM | 8.06 | Inhibition of human N-terminal tagged human HDAC6 expressed in HEK293T/17 using ... | 31271281 |
| MM1.S | EC50 | = | 74.9 | nM | 7.13 | Antiproliferative activity against human MM1S cells assessed as reduction in cel... | 31271281 |
Literature References
Data from ChEMBL 36 via Core Engine