Compound Detail
CHEMBL1326265
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Basic Information
| ChEMBL ID | CHEMBL1326265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDSVUTNMKCJKGE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.7
MW (Da)
1.78
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 5.21 | 5.0225 | 6190.0 | 4 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 6190.0 | nM | 5.21 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 8190.0 | nM | 5.09 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 10500.0 | nM | 4.98 | PUBCHEM_BIOASSAY: SAR assay for compounds activating TNAP in the presence of 100... | - |
| Intestinal-type alkaline phosphatase | EC50 | = | 10700.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a s... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | EC50 | = | 15500.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 17000.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Human Intesti... | - |
Data from ChEMBL 36 via Core Engine