Compound Detail
CHEMBL1320007
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Basic Information
| ChEMBL ID | CHEMBL1320007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSAPQKPCMMYLNH-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.41
ALogP
4
HBA
3
HBD
71.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.72
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.72 | 6.72 | 192.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.83 | 4.83 | 14700.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.81 | 4.81 | 15400.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.3 | 4.3 | 50300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 192.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 10600.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a s... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 14700.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 15400.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 50300.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Human Intesti... | - |
Data from ChEMBL 36 via Core Engine