Compound Detail
CHEMBL3409829
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Basic Information
| ChEMBL ID | CHEMBL3409829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBYHEOLZGXDSHR-GIDUJCDVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
5.45
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.57 | 4.545 | 26800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 4600.0 | nM | 5.34 | Antifilarial activity against Brugia malayi microfilariae isolated from peritone... | 27592395 |
| HepG2 | IC50 | = | 26800.0 | nM | 4.57 | Cytotoxicity against human HepG2 cells assessed as surviving fraction ratio incu... | 25618015 |
| HepG2 | IC50 | = | 30300.0 | nM | 4.52 | Cytotoxicity against human HepG2 cells assessed as surviving fraction ratio afte... | 25618015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25618015 | 10.1016/j.ejmech.2015.01.036 | HepG2 | 10 |
| 27592395 | 10.1016/j.ejmech.2016.08.042 | Molecular identity unknown | 2 |
| 27592395 | 10.1016/j.ejmech.2016.08.042 | NON-PROTEIN TARGET | 1 |
| 27592395 | 10.1016/j.ejmech.2016.08.042 | Brugia malayi | 1 |
Data from ChEMBL 36 via Core Engine