Compound Detail
CHEMBL278037
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Basic Information
| ChEMBL ID | CHEMBL278037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLVRJEJEXGVOMJ-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.74
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
EC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) CHEMBL612412 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.89 | 4.89 | 13004.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.85 | 4.85 | 14254.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.54 | 14500.0 | 3 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against hepatitis C virus internal ribosomal entry site | 15633995 |
| RNA-binding protein pos-1 | EC50 | = | 13004.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 14254.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 14500.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Unchecked | IC50 | = | 18393.0 | nM | 4.74 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 34000.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 90640.0 | nM | 4.04 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866369 | 10.1016/s0960-894x(00)00217-1 | Huh-7 | 2 |
| 10866369 | 10.1016/s0960-894x(00)00217-1 | NON-PROTEIN TARGET | 1 |
| 15633995 | 10.1021/jm0400101 | Internal ribosome entry site (IRES) | 1 |
| 24138284 | 10.1021/jm401312n | Internal ribosome entry site (IRES) | 1 |
Data from ChEMBL 36 via Core Engine