Compound Detail
CHEMBL363000
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Basic Information
| ChEMBL ID | CHEMBL363000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWXYCZMPNLUXHZ-QPWUGHHJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
316.5
MW (Da)
4.54
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 33400.0 | nM | 4.48 | Anti-proliferative activity against MCF-7 human breast cancer cells was determin... | 15149660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149660 | 10.1016/j.bmcl.2004.04.027 | MCF7 | 1 |
| 16078843 | 10.1021/jm050066a | MCF7 | 1 |
| 16078843 | 10.1021/jm050066a | Unchecked | 1 |
| 16078843 | 10.1021/jm050066a | NON-PROTEIN TARGET | 1 |
| 16078843 | 10.1021/jm050066a | HCT-116 | 1 |
| 16078843 | 10.1021/jm050066a | SF-539 | 1 |
| 16078843 | 10.1021/jm050066a | UACC-62 | 1 |
| 16078843 | 10.1021/jm050066a | OVCAR-3 | 1 |
| 16078843 | 10.1021/jm050066a | SN12C | 1 |
| 16078843 | 10.1021/jm050066a | DU-145 | 1 |
| 16078843 | 10.1021/jm050066a | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine