Compound Detail
CHEMBL3746445
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Basic Information
| ChEMBL ID | CHEMBL3746445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPBVBAGLRHZELG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.83
ALogP
7
HBA
1
HBD
85.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Brain CHEMBL613617 | IC50 | 5.47 | 5.365 | 3410.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Brain | IC50 | = | 3410.0 | nM | 5.47 | Antioxidant activity in albino rat brain homogenate assessed as inhibition of Fe... | 26753816 |
| Brain | IC50 | = | 5450.0 | nM | 5.26 | Antioxidant activity in albino rat brain homogenate assessed as inhibition of Fe... | 26753816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26753816 | 10.1016/j.bmc.2015.12.040 | Unchecked | 5 |
| 26753816 | 10.1016/j.bmc.2015.12.040 | Brain | 2 |
| 26753816 | 10.1016/j.bmc.2015.12.040 | Seed linoleate 13S-lipoxygenase-1 | 1 |
| 26753816 | 10.1016/j.bmc.2015.12.040 | No relevant target | 1 |
| 26753816 | 10.1016/j.bmc.2015.12.040 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine