Compound Detail
CHEMBL317869
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Basic Information
| ChEMBL ID | CHEMBL317869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLLFUILNISGLHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.45 | 4.45 | 35700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 35700.0 | nM | 4.45 | The compound was tested for antiproliferative activity against MCF-7 human breas... | 11720850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26517378 | 10.1021/acs.jnatprod.5b00621 | ADMET | 9 |
| 26517378 | 10.1021/acs.jnatprod.5b00621 | Cortical neurone | 4 |
| 26517378 | 10.1021/acs.jnatprod.5b00621 | DNA polymerase beta | 3 |
| 11720850 | 10.1016/s0960-894x(01)00617-5 | MCF7 | 1 |
| - | 10.1016/0960-894X(96)00134-5 | Rattus norvegicus | 1 |
| 19307119 | 10.1016/j.bmcl.2009.03.017 | HEK293 | 1 |
| 21907578 | 10.1016/j.bmcl.2011.08.077 | Unchecked | 1 |
| 26517378 | 10.1021/acs.jnatprod.5b00621 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine