Compound Detail
CHEMBL1334710
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Basic Information
| ChEMBL ID | CHEMBL1334710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGOGTTZVILYDIX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.35
ALogP
7
HBA
2
HBD
88.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.37
EC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.37 | 5.37 | 4250.0 | 2 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.88 | 4.88 | 13340.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.45 | 4.45 | 35800.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.1 | 4.1 | 79400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | IC50 | = | 4250.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 4320.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Leucine aminopeptidase | IC50 | = | 13340.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 35800.0 | nM | 4.45 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 79400.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine