Compound Detail
CHEMBL1532795
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Basic Information
| ChEMBL ID | CHEMBL1532795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZZCHCOMTCNFPO-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.81
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 4.94
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.94 | 4.7775 | 11600.0 | 4 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.18 | 4.18 | 65900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 12100.0 | nM | 4.92 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 16500.0 | nM | 4.78 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the absence of phos... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 34133.0 | nM | 4.47 | PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absenc... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 65900.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine