Compound Detail
CHEMBL241098
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Basic Information
| ChEMBL ID | CHEMBL241098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LACQLKYZMSEMTM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.41
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.6 | 4.6 | 25100.0 | 1 |
| Isocitrate lyase CHEMBL5359 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1700.0 | nM | 5.77 | Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells | 17317171 |
| Plasmodium falciparum | IC50 | = | 25100.0 | nM | 4.6 | Antimalarial activity against Plasmodium falciparum W2 (MRA-157) incubated for 7... | 34058709 |
| Isocitrate lyase | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of Candida albicans isocitrate lyase | 21035332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Isocitrate lyase | 2 |
| 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 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Sortase A | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Staphylococcus aureus | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Bacillus subtilis | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Salmonella typhimurium | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Proteus vulgaris | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Micrococcus luteus | 1 |
| 21035332 | 10.1016/j.bmcl.2010.10.029 | Escherichia coli | 1 |
| 27280693 | 10.1021/acs.jmedchem.6b00035 | ATP-dependent translocase ABCB1 | 1 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine