Compound Detail
CHEMBL2443302
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CN1CCN(C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3N(C)c4ccccc4C(=O)N23)CC1
Basic Information
| ChEMBL ID | CHEMBL2443302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZGOHZANQYHEHZ-GMAHTHKFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
2.46
ALogP
4
HBA
1
HBD
62.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 66000.0 | nM | 4.18 | Cytotoxicity against human H460 cells after 72 hrs by MTT assay | 24103429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24103429 | 10.1016/j.bmc.2013.09.030 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 24103429 | 10.1016/j.bmc.2013.09.030 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 24103429 | 10.1016/j.bmc.2013.09.030 | HepG2 | 1 |
| 24103429 | 10.1016/j.bmc.2013.09.030 | MCF7 | 1 |
| 24103429 | 10.1016/j.bmc.2013.09.030 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine