Compound Detail
CHEMBL1502133
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Basic Information
| ChEMBL ID | CHEMBL1502133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIUOCQNDNUKQFN-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.95
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
EC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 6.18 | 6.18 | 660.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.56 | 1700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 660.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Unchecked | IC50 | = | 3030.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27379713 | 10.1021/acs.jmedchem.6b00674 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine