Compound Detail
CHEMBL3191714
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Basic Information
| ChEMBL ID | CHEMBL3191714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOYULQKGXNJTQA-YAXRCOADSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
0.47
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.15
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.35 | 5.35 | 4500.9 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.15 | 4.15 | 71231.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 4500.9 | nM | 5.35 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| RNA-binding protein pos-1 | EC50 | = | 71231.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine