Compound Detail
CHEMBL5175326
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Basic Information
| ChEMBL ID | CHEMBL5175326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNPDYWVFOORTBW-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
2.60
ALogP
8
HBA
2
HBD
125.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.75
Kd 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HOS CHEMBL614736 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| MG-63 CHEMBL614347 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| 143B CHEMBL614508 | IC50 | 6.52 | 6.4 | 300.0 | 2 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | Kd | 6.23 | 6.23 | 590.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HOS | IC50 | = | 180.0 | nM | 6.75 | Antiproliferative activity against human HOS cells assessed as inhibition of cel... | 35476936 |
| 143B | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human 143B cells assessed as inhibition of ce... | 35476936 |
| MG-63 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human MG-63 cells assessed as inhibition of c... | 35476936 |
| 143B | IC50 | = | 530.0 | nM | 6.28 | Antimigratory activity against human 143B cells assessed as reduction in cell mi... | 35476936 |
| Signal transducer and activator of transcription 3 | Kd | = | 590.0 | nM | 6.23 | Binding affinity to His-tagged STAT3 (127 to 722 residues) (unknown origin) incu... | 35476936 |
| Unchecked | IC50 | = | 15800.0 | nM | 4.8 | Cytotoxicity against hFOB 1.19 cells assessed as inhibition of cell growth incub... | 35476936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35476936 | 10.1021/acs.jmedchem.2c00004 | 143B | 2 |
| 35476936 | 10.1021/acs.jmedchem.2c00004 | HOS | 1 |
| 35476936 | 10.1021/acs.jmedchem.2c00004 | MG-63 | 1 |
| 35476936 | 10.1021/acs.jmedchem.2c00004 | Unchecked | 1 |
| 35476936 | 10.1021/acs.jmedchem.2c00004 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine