Compound Detail
CHEMBL4567434
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Basic Information
| ChEMBL ID | CHEMBL4567434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNULIYCWVUMGMN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.0
MW (Da)
4.17
ALogP
4
HBA
0
HBD
77.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.08
Ki 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 5.67 | 5.67 | 2150.0 | 1 |
| Protein S100-A4 CHEMBL2362976 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 2150.0 | nM | 5.67 | RTX Competition Binding Assay.: Binding studies with [3H]RTX were carried out as... | - |
| Protein S100-A4 | EC50 | = | 8300.0 | nM | 5.08 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Data from ChEMBL 36 via Core Engine