Compound Detail
CHEMBL1486891
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Basic Information
| ChEMBL ID | CHEMBL1486891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAOATPLIHZIGGF-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.42
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.45
EC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.45 | 5.37 | 3590.0 | 4 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.85 | 4.85 | 14073.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3590.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 3780.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 4220.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 5850.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Heat shock factor protein 1 | EC50 | = | 14073.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine