Compound Detail
CHEMBL3969307
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Basic Information
| ChEMBL ID | CHEMBL3969307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWWMGQGEUVPROQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.9
MW (Da)
3.89
ALogP
4
HBA
1
HBD
37.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.9 | 5.0425 | 1250.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1250.0 | nM | 5.9 | Antiproliferative activity against human A549 cells after 48 hrs by MTT assay | 27416553 |
| NON-PROTEIN TARGET | IC50 | = | 14600.0 | nM | 4.84 | Antiproliferative activity against human BGC823 cells after 48 hrs by MTT assay | 27416553 |
| NON-PROTEIN TARGET | IC50 | = | 15390.0 | nM | 4.81 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 27416553 |
| NON-PROTEIN TARGET | IC50 | = | 24000.0 | nM | 4.62 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 27416553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27416553 | 10.1016/j.ejmech.2016.06.054 | NON-PROTEIN TARGET | 4 |
Data from ChEMBL 36 via Core Engine