Compound Detail
CHEMBL1424867
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1424867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRKOSHQSNJCEBD-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.0
MW (Da)
6.08
ALogP
2
HBA
2
HBD
33.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.95
EC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.84 | 5.84 | 1442.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.62 | 4.62 | 23900.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.41 | 4.41 | 39400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1442.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 15900.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 23900.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 39400.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine