Compound Detail
CHEMBL1702298
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Basic Information
| ChEMBL ID | CHEMBL1702298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLJCFEHKTHXYOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.6
MW (Da)
6.71
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-4 CHEMBL278 | EC50 | 4.58 | 4.58 | 26140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-4 | EC50 | = | 26140.0 | nM | 4.58 | PUBCHEM_BIOASSAY: SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligan... | - |
Data from ChEMBL 36 via Core Engine