Compound Detail
CHEMBL5563314
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Basic Information
| ChEMBL ID | CHEMBL5563314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOQJKMDLXCJBAE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
588.1
MW (Da)
3.99
ALogP
5
HBA
1
HBD
83.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.7 | 5.7 | 1980.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.49 | 5.49 | 3220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 730.0 | nM | 6.14 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 38336655 |
| PC-3 | IC50 | = | 1980.0 | nM | 5.7 | Antiproliferative activity against human PC-3 cells assessed as inhibition of ce... | 38336655 |
| A549 | IC50 | = | 2150.0 | nM | 5.67 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 38336655 |
| DU-145 | IC50 | = | 3220.0 | nM | 5.49 | Antiproliferative activity against human DU-145 cells assessed as inhibition of ... | 38336655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38336655 | 10.1021/acs.jmedchem.3c02399 | A549 | 1 |
| 38336655 | 10.1021/acs.jmedchem.3c02399 | DU-145 | 1 |
| 38336655 | 10.1021/acs.jmedchem.3c02399 | PC-3 | 1 |
| 38336655 | 10.1021/acs.jmedchem.3c02399 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine