Compound Detail
CHEMBL1518080
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Basic Information
| ChEMBL ID | CHEMBL1518080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNQPBWPWNXLKKI-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.72
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.37
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.37 | 6.315 | 424.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 5.71 | 5.71 | 1973.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 424.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 549.0 | nM | 6.26 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| H4 | EC50 | = | 1973.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 10300.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine