Compound Detail
CHEMBL278321
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Basic Information
| ChEMBL ID | CHEMBL278321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOYYGUGGKCXHGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
6.29
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human prostate cancer cell line PC-3 growth | 11965367 |
| MDA-MB-231 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human breast cancer cell line MDA-MB-231 growth | 11965367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965367 | 10.1016/s0960-894x(02)00156-7 | MDA-MB-231 | 1 |
| 11965367 | 10.1016/s0960-894x(02)00156-7 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine