Compound Detail
CHEMBL4851157
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Basic Information
| ChEMBL ID | CHEMBL4851157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIMMIQQDVUHPDO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.50
ALogP
9
HBA
2
HBD
111.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay | 34324343 |
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Inhibition of FYK Y379 mutant phosphorylation in human MDA-MB-231 cells by in-ce... | 34324343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34324343 | 10.1021/acs.jmedchem.1c00459 | Unchecked | 6 |
| 34324343 | 10.1021/acs.jmedchem.1c00459 | BaF3 | 6 |
| 34324343 | 10.1021/acs.jmedchem.1c00459 | Focal adhesion kinase 1 | 1 |
| 34324343 | 10.1021/acs.jmedchem.1c00459 | HCT-116 | 1 |
| 34324343 | 10.1021/acs.jmedchem.1c00459 | MDA-MB-231 | 1 |
| 34324343 | 10.1021/acs.jmedchem.1c00459 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine