Compound Detail
CHEMBL3753569
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Basic Information
| ChEMBL ID | CHEMBL3753569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITJKLRRJXDMNES-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.05
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.89 | 4.87 | 12910.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 4.71 | 4.71 | 19480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 12910.0 | nM | 4.89 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | - |
| No relevant target | IC50 | = | 13980.0 | nM | 4.85 | Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... | - |
| HT-29 | IC50 | = | 19480.0 | nM | 4.71 | Antiproliferative activity against human HT-29 cells after 48 hrs by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00163C | No relevant target | 2 |
| - | 10.1039/C5MD00163C | SW480 | 1 |
| - | 10.1039/C5MD00163C | HT-29 | 1 |
| - | 10.1039/C5MD00163C | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00163C | HepG2 | 1 |
| - | 10.1039/C5MD00163C | ADMET | 1 |
Data from ChEMBL 36 via Core Engine