Compound Detail
CHEMBL5267417
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Basic Information
| ChEMBL ID | CHEMBL5267417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTYNZXUIPAQFDD-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.7
MW (Da)
0.52
ALogP
8
HBA
3
HBD
138.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HONE1 cell line CHEMBL614830 | IC50 | 6.7 | 6.7 | 201.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.58 | 6.58 | 263.0 | 1 |
| HA22T cell line CHEMBL614807 | IC50 | 6.55 | 6.55 | 282.0 | 1 |
| NUGC CHEMBL614207 | IC50 | 6.48 | 6.48 | 328.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.46 | 6.46 | 348.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 6.22 | 6.22 | 606.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HONE1 cell line | IC50 | = | 201.0 | nM | 6.7 | Anticancer activity against human HONE1 cell line assessed as cell growth inhibi... | 35694689 |
| HepG2 | IC50 | = | 263.0 | nM | 6.58 | Anticancer activity against human HepG2 cells assessed as cell growth inhibition... | 35694689 |
| HA22T cell line | IC50 | = | 282.0 | nM | 6.55 | Anticancer activity against human HA22T cells assessed as cell growth inhibition... | 35694689 |
| NUGC | IC50 | = | 328.0 | nM | 6.48 | Anticancer activity against human NUGC cells assessed as cell growth inhibition ... | 35694689 |
| MCF7 | IC50 | = | 348.0 | nM | 6.46 | Anticancer activity against human MCF7 cells assessed as cell growth inhibition ... | 35694689 |
| DLD-1 | IC50 | = | 606.0 | nM | 6.22 | Anticancer activity against human DLD-1 cells assessed as cell growth inhibition... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | NUGC | 1 |
| 35694689 | 10.1039/d2md00076h | DLD-1 | 1 |
| 35694689 | 10.1039/d2md00076h | HA22T cell line | 1 |
| 35694689 | 10.1039/d2md00076h | HepG2 | 1 |
| 35694689 | 10.1039/d2md00076h | HONE1 cell line | 1 |
| 35694689 | 10.1039/d2md00076h | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine