Compound Detail
CHEMBL1448503
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Basic Information
| ChEMBL ID | CHEMBL1448503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDHNDBUMWWYHMO-NCEWWTOFSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
3.91
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.24
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.24 | 5.4975 | 582.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.205 | 4991.0 | 2 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.71 | 4.71 | 19619.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 582.0 | nM | 6.24 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| BJ | EC50 | = | 2942.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 4041.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 4991.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 7780.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| BJ | EC50 | = | 14891.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 19619.0 | nM | 4.71 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine