Compound Detail
CHEMBL1577938
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Basic Information
| ChEMBL ID | CHEMBL1577938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUOYKXUDPRGQQQ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.15
ALogP
5
HBA
1
HBD
85.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.58
EC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.58 | 5.875 | 264.0 | 4 |
| Nucleic Acid CHEMBL345 | EC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 264.0 | nM | 6.58 | Inhibition of human recombinant S100P/RAGE interaction incubated for 1 hr and me... | 32707527 |
| Nucleic Acid | EC50 | = | 770.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 2140.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 4020.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24095017 | 10.1016/j.bmc.2013.09.020 | Aedes aegypti | 1 |
| 32707527 | 10.1016/j.ejmech.2020.112621 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine