Compound Detail
CHEMBL3134110
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Basic Information
| ChEMBL ID | CHEMBL3134110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVVAUNLWXBWAFH-CABCVRRESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.38
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.24 | 4.24 | 57410.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.0 | 4.0 | 99600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of human recombinant aromatase expressed in baculovirus infected inse... | - |
| NON-PROTEIN TARGET | IC50 | = | 57410.0 | nM | 4.24 | Cytotoxicity against human MOLT3 cells by XTT assay | - |
| HepG2 | IC50 | = | 99600.0 | nM | 4.0 | Cytotoxicity against human HepG2 cells by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00166K | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C3MD00166K | Aromatase | 1 |
| - | 10.1039/C3MD00166K | HepG2 | 1 |
| - | 10.1039/C3MD00166K | A549 | 1 |
Data from ChEMBL 36 via Core Engine