Compound Detail
CHEMBL5567902
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CCCCCCNNC(=O)c1ccc(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5567902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOSWUNAJRAEGEW-YTIGDUPRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
873.2
MW (Da)
6.77
ALogP
10
HBA
5
HBD
159.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SU-DHL-2 | IC50 | = | 720.0 | nM | 6.14 | Antiproliferative activity against human SU-DHL-2 cells assessed as cell viabili... | 38949959 |
| DOHH-2 | IC50 | = | 890.0 | nM | 6.05 | Antiproliferative activity against human DOHH-2 cells assessed as cell viability... | 38949959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38949959 | 10.1021/acs.jmedchem.4c00761 | von Hippel-Lindau disease tumor suppressor/Histone deacetylase 8 | 15 |
| 38949959 | 10.1021/acs.jmedchem.4c00761 | Unchecked | 10 |
| 38949959 | 10.1021/acs.jmedchem.4c00761 | von Hippel-Lindau disease tumor suppressor/Histone deacetylase 3 | 3 |
| 38949959 | 10.1021/acs.jmedchem.4c00761 | MDA-MB-231 | 2 |
| 38949959 | 10.1021/acs.jmedchem.4c00761 | SU-DHL-2 | 2 |
| 38949959 | 10.1021/acs.jmedchem.4c00761 | DOHH-2 | 1 |
Data from ChEMBL 36 via Core Engine