Compound Detail
CHEMBL1986301
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Basic Information
| ChEMBL ID | CHEMBL1986301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQRXDRGZIIXKAK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.37
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.505 | 21450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21450.0 | nM | 4.67 | Antiproliferative activity against human HCT116 cells assessed as growth inhibit... | 33744440 |
| Unchecked | IC50 | = | 45380.0 | nM | 4.34 | Antiproliferative activity against human MDA-MB-231 cells assessed as growth inh... | 33744440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33744440 | 10.1016/j.bmcl.2021.127954 | Unchecked | 3 |
| 24417479 | 10.1021/jm401117t | NON-PROTEIN TARGET | 1 |
| 24417479 | 10.1021/jm401117t | Transforming growth factor beta-1 proprotein | 1 |
Data from ChEMBL 36 via Core Engine