Compound Detail
CHEMBL1451040
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Basic Information
| ChEMBL ID | CHEMBL1451040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXGYOPKWZSTSLD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
0.36
ALogP
4
HBA
3
HBD
72.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
EC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.97 | 10740.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.57 | 4.57 | 26810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 6000.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 10740.0 | nM | 4.97 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Zinc finger protein mex-5 | EC50 | = | 26810.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine