Compound Detail
CHEMBL1413142
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Basic Information
| ChEMBL ID | CHEMBL1413142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AALPWUGBAOXTOC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
1.66
ALogP
8
HBA
3
HBD
116.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 6.03 | 6.03 | 930.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 5.4 | 4.9333 | 4020.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 930.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 4020.0 | nM | 5.4 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 9960.0 | nM | 5.0 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the absence of phos... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 39689.0 | nM | 4.4 | PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absenc... | - |
Data from ChEMBL 36 via Core Engine