Compound Detail
CHEMBL91474
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Basic Information
| ChEMBL ID | CHEMBL91474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTXSMOJVKBJLAW-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
534.1
MW (Da)
2.02
ALogP
8
HBA
4
HBD
127.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.75 | 6.75 | 178.0 | 2 |
| Aminopeptidase N CHEMBL1907 | IC50 | 5.87 | 5.87 | 1345.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 5.87 | 5.87 | 1345.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.6 | 5.6 | 2503.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2503.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 178.0 | nM | 6.75 | Inhibitory activity against Plasmodium falciparum FcB1 | 12873488 |
| Plasmodium falciparum | IC50 | = | 178.0 | nM | 6.75 | Antimalarial activity against Plasmodium falciparum FcB1 preincubated for 24 hrs... | 33534577 |
| Aminopeptidase N | IC50 | = | 1345.0 | nM | 5.87 | Inhibitory activity against mammalian Aminopeptidase N (APN) | 12873488 |
| Aminopeptidase N | IC50 | = | 1345.0 | nM | 5.87 | Inhibition of porcine kidney aminopeptidase N using Leu-pNA as substrate by micr... | 33534577 |
| Aminopeptidase N | IC50 | = | 2503.0 | nM | 5.6 | Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase | 12873488 |
| Unchecked | IC50 | = | 2503.0 | nM | 5.6 | Inhibition of recombinant Plasmodium falciparum A-M1 using Leu-pNA as substrate ... | 33534577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12873488 | 10.1016/s0960-894x(03)00550-x | Aminopeptidase N | 2 |
| 12873488 | 10.1016/s0960-894x(03)00550-x | Plasmodium falciparum | 1 |
| 12873488 | 10.1016/s0960-894x(03)00550-x | Unchecked | 1 |
| 33534577 | 10.1021/acs.jmedchem.0c01721 | Unchecked | 1 |
| 33534577 | 10.1021/acs.jmedchem.0c01721 | Plasmodium falciparum | 1 |
| 33534577 | 10.1021/acs.jmedchem.0c01721 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine