Compound Detail
CHEMBL1375627
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Basic Information
| ChEMBL ID | CHEMBL1375627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXKNTUJYIOAGPB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
4.98
ALogP
6
HBA
2
HBD
83.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.86
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.86 | 5.86 | 1387.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.18 | 5.18 | 6540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1387.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 6540.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Data from ChEMBL 36 via Core Engine