Compound Detail
CHEMBL241083
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Basic Information
| ChEMBL ID | CHEMBL241083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INERHEQVAVQJBO-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.40
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
EC50 1 meas. best 4.52
Ki 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.09 | 5.09 | 8100.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8100.0 | nM | 5.09 | Antimalarial activity against multi drug resistant Plasmodium falciparum W2 | 34058709 |
| Plasmodium falciparum | IC50 | = | 8100.0 | nM | 5.09 | Antiplasmodial activity against multi-resistant Plasmodium falciparum W2 infecte... | 36931118 |
| Hepatitis C virus | EC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against HCV replication in human HuH7 cells expressing Rep-Fe... | 17682098 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 97000.0 | nM | 4.01 | Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells | 17317171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27280693 | 10.1021/acs.jmedchem.6b00035 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | 5-hydroxytryptamine receptor 7 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Muscarinic acetylcholine receptor M4 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | D(2) dopamine receptor | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Unchecked | 1 |
| 17682098 | 10.1128/aac.00233-07 | Hepatitis C virus | 1 |
| 17682098 | 10.1128/aac.00233-07 | ADMET | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Isocitrate lyase | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Sortase A | 1 |
| 27280693 | 10.1021/acs.jmedchem.6b00035 | ATP-dependent translocase ABCB1 | 1 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | Plasmodium falciparum | 1 |
| 36931118 | 10.1016/j.ejmech.2023.115247 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine