Compound Detail
CHEMBL1318995
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Basic Information
| ChEMBL ID | CHEMBL1318995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVXPVWMMLRIREY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.81
ALogP
6
HBA
2
HBD
99.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 5.75 | 5.75 | 1756.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2854.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 1756.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 2854.0 | nM | 5.54 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
Data from ChEMBL 36 via Core Engine