Compound Detail
CHEMBL1411210
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Basic Information
| ChEMBL ID | CHEMBL1411210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRYFPFHGCPTRHR-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
4.05
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.43
EC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 10 CHEMBL5813 | IC50 | 6.43 | 5.865 | 372.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 6.15 | 6.115 | 714.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor ligand superfamily member 10 | IC50 | = | 372.0 | nM | 6.43 | PUBCHEM_BIOASSAY: SAR analysis of compounds that potentiate TRAIL-induced apopto... | - |
| Tumor necrosis factor ligand superfamily member 10 | IC50 | = | 602.0 | nM | 6.22 | PUBCHEM_BIOASSAY: SAR analysis of compounds that potentiate TRAIL-induced apopto... | - |
| Unchecked | EC50 | = | 714.0 | nM | 6.15 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 824.0 | nM | 6.08 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Tumor necrosis factor ligand superfamily member 10 | IC50 | = | 3270.0 | nM | 5.49 | PUBCHEM_BIOASSAY: SAR analysis of compounds that potentiate TRAIL-induced apopto... | - |
| Tumor necrosis factor ligand superfamily member 10 | IC50 | = | 4810.0 | nM | 5.32 | PUBCHEM_BIOASSAY: SAR analysis of compounds that potentiate TRAIL-induced apopto... | - |
Data from ChEMBL 36 via Core Engine