Compound Detail
CHEMBL1333930
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Basic Information
| ChEMBL ID | CHEMBL1333930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXHJIMQXQWJNSM-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.3
MW (Da)
1.93
ALogP
8
HBA
1
HBD
118.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.05
IC50 2 meas. best 5.98
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 90.0 | nM | 7.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 98.0 | nM | 7.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | IC50 | = | 1050.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | EC50 | = | 4887.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
Data from ChEMBL 36 via Core Engine