Compound Detail
CHEMBL3134113
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Basic Information
| ChEMBL ID | CHEMBL3134113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAAVAQORZATFQC-KGLIPLIRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.08
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.53 | 4.53 | 29810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human recombinant aromatase expressed in baculovirus infected inse... | - |
| NON-PROTEIN TARGET | IC50 | = | 29810.0 | nM | 4.53 | Cytotoxicity against human MOLT3 cells by XTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00166K | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C3MD00166K | A549 | 1 |
| - | 10.1039/C3MD00166K | HepG2 | 1 |
| - | 10.1039/C3MD00166K | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine