Compound Detail
CHEMBL3590047
IPP/CNRS-A019 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL3590047 |
| Name | IPP/CNRS-A019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDNHAVKDNYIJLE-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
5.17
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.35
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.92 | 5.92 | 1200.0 | 2 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 5.35 | 5.3033 | 4466.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1200.0 | nM | 5.92 | Measles Virus Inhibition Assay | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1200.0 | nM | 5.92 | Affinity On-target Cellular interaction (Measles Virus Inhibition Assay) EUB0000... | - |
| Sigma intracellular receptor 2 | Ki | = | 4466.84 | nM | 5.35 | GPCRScan assay: inhibition of Sigma 2 | - |
| Sigma intracellular receptor 2 | Ki | = | 5252.78 | nM | 5.28 | GPCRScan assay: inhibition of Sigma 2 | - |
| Sigma intracellular receptor 2 | Ki | = | 5252.78 | nM | 5.28 | Selectivity interaction (GPCR panel (PDSP screen)) EUB0000745a TMEM97 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | U2OS | 261 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 260 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 255 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507312 | Unchecked | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507312 | Sigma intracellular receptor 2 | 3 |
| - | 10.6019/CHEMBL4507312 | GABA-A receptor; anion channel | 2 |
| - | 10.6019/CHEMBL4507312 | D(4) dopamine receptor | 1 |
| - | 10.6019/CHEMBL4507312 | Alpha-1B adrenergic receptor | 1 |
| - | 10.6019/CHEMBL4507312 | Alpha-1A adrenergic receptor | 1 |
| - | 10.1021/acschembio.2c00877 | Colon organoid | 1 |
| - | 10.6019/CHEMBL4507312 | Kappa-type opioid receptor | 1 |
| - | 10.6019/CHEMBL4507312 | Histamine H4 receptor | 1 |
| - | 10.6019/CHEMBL4507312 | Sodium-dependent dopamine transporter | 1 |
| - | 10.6019/CHEMBL4507312 | D(1B) dopamine receptor | 1 |
| 26079043 | 10.1021/acs.jmedchem.5b00606 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL4507312 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine