Compound Detail
CHEMBL3753264
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Basic Information
| ChEMBL ID | CHEMBL3753264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEULCMKLBIHPTR-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
7.17
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW480 CHEMBL612544 | IC50 | 5.8 | 5.7967 | 1570.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.21 | 5.175 | 6190.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.63 | 4.605 | 23510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW480 | IC50 | = | 1570.0 | nM | 5.8 | Antiproliferative activity against human SW480 cells after 48 hrs by MTT assay | - |
| SW480 | IC50 | = | 1570.0 | nM | 5.8 | Cytotoxicity against human SW480 cells assessed as reduction in cell viability i... | 36155355 |
| SW480 | IC50 | = | 1640.0 | nM | 5.79 | Antiproliferative activity against human SW480 cells after 72 hrs by MTT assay | - |
| NON-PROTEIN TARGET | IC50 | = | 6190.0 | nM | 5.21 | Antiproliferative activity against human DLD1 cells after 72 hrs by MTT assay | - |
| NON-PROTEIN TARGET | IC50 | = | 7230.0 | nM | 5.14 | Antiproliferative activity against human DLD1 cells after 48 hrs by MTT assay | - |
| No relevant target | IC50 | = | 23510.0 | nM | 4.63 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | - |
| No relevant target | IC50 | = | 26270.0 | nM | 4.58 | Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00163C | SW480 | 22 |
| - | 10.1039/C5MD00163C | HT-29 | 3 |
| - | 10.1039/C5MD00163C | NON-PROTEIN TARGET | 3 |
| - | 10.1039/C5MD00163C | No relevant target | 2 |
| - | 10.1039/C5MD00163C | ADMET | 2 |
| - | 10.1039/C5MD00163C | HepG2 | 1 |
| 36155355 | 10.1016/j.ejmech.2022.114733 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine