Compound Detail
CHEMBL1334149
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Basic Information
| ChEMBL ID | CHEMBL1334149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNHDWLRHUJZABX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.21
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plectin CHEMBL1293240 | IC50 | 5.73 | 5.1467 | 1851.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plectin | IC50 | = | 1851.82 | nM | 5.73 | PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1.... | - |
| Plectin | IC50 | = | 6228.45 | nM | 5.21 | PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory... | - |
| Plectin | IC50 | = | 31732.19 | nM | 4.5 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the bindi... | - |
Data from ChEMBL 36 via Core Engine