Compound Detail
CHEMBL3354307
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Basic Information
| ChEMBL ID | CHEMBL3354307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWRLVHQWPKEVPP-ONEGZZNKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.2
MW (Da)
4.34
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 3500.0 | nM | 5.46 | Antiproliferative activity against human MGC803 cells by MTT assay | 25455486 |
| NON-PROTEIN TARGET | IC50 | = | 3700.0 | nM | 5.43 | Antiproliferative activity against human MDA468 cells by MTT assay | 25455486 |
| HT-29 | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against human HT-29 cells by MTT assay | 25455486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25455486 | 10.1016/j.bmcl.2014.10.009 | NON-PROTEIN TARGET | 1 |
| 25455486 | 10.1016/j.bmcl.2014.10.009 | HT-29 | 1 |
| 25455486 | 10.1016/j.bmcl.2014.10.009 | MGC-803 | 1 |
Data from ChEMBL 36 via Core Engine