Compound Detail
CHEMBL1302946
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Basic Information
| ChEMBL ID | CHEMBL1302946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZYLJRRYKPUHJW-WOJGMQOQSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.85
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | EC50 | = | 1090.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
| Neurotensin receptor type 1 | EC50 | = | 13000.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
Data from ChEMBL 36 via Core Engine