Compound Detail
CHEMBL1417168
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 | CHEMBL1417168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMRPUDKLBOTNPQ-ZROIWOOFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.64
ALogP
6
HBA
3
HBD
89.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
EC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.89 | 5.89 | 1280.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.16 | 1796.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intestinal-type alkaline phosphatase | IC50 | = | 1280.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Unchecked | IC50 | = | 1796.0 | nM | 5.75 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | EC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 20000.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
| Unchecked | IC50 | = | 27141.0 | nM | 4.57 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
Data from ChEMBL 36 via Core Engine