Compound Detail
CHEMBL1439775
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Basic Information
| ChEMBL ID | CHEMBL1439775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZSKPEOFQLGJIX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.36
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.34
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H4 CHEMBL1075452 | EC50 | 5.34 | 5.34 | 4526.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.21 | 5.205 | 6235.0 | 2 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.08 | 4.08 | 82800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H4 | EC50 | = | 4526.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 6235.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 6278.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 82800.0 | nM | 4.08 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine