Compound Detail
CHEMBL1714669
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Basic Information
| ChEMBL ID | CHEMBL1714669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCGRNQVEDWXYOS-VULFUBBASA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.9
MW (Da)
4.87
ALogP
5
HBA
2
HBD
92.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.7
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.21 | 2001.0 | 2 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.58 | 5.58 | 2647.0 | 1 |
| Integrin alpha-4 CHEMBL278 | EC50 | 4.63 | 4.63 | 23420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2001.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 2647.0 | nM | 5.58 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Unchecked | EC50 | = | 19162.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Integrin alpha-4 | EC50 | = | 23420.0 | nM | 4.63 | PUBCHEM_BIOASSAY: SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligan... | - |
Data from ChEMBL 36 via Core Engine