Compound Detail
CHEMBL1303188
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Basic Information
| ChEMBL ID | CHEMBL1303188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCHDUTBVIFYTPO-NXVVXOECSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.68
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
EC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.28 | 5.28 | 5310.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.13 | 5.13 | 7473.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.03 | 5.03 | 9430.0 | 1 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 4.6 | 4.6 | 25013.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.27 | 4.27 | 53500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 5310.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 7473.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Aminopeptidase N | IC50 | = | 9430.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Aspartyl aminopeptidase | IC50 | = | 25013.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QF... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 53500.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Data from ChEMBL 36 via Core Engine