Compound Detail
CHEMBL2325750
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CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(COCC(COCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC)Cn1cnc2c(=O)[nH]cnc21)N[C@@H](Cc1ccccc1)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL2325750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIBHMDCDZNWIMV-KVXOYYPDSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1113.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.42 | 5.41 | 3800.0 | 2 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| A549 CHEMBL392 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3800.0 | nM | 5.42 | Antimalarial activity against wild type early trophozoite stage of Plasmodium fa... | 23448281 |
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | Antimalarial activity against chloroquine and pyrimethamine-resistant early trop... | 23448281 |
| Mycobacterium tuberculosis | IC50 | = | 5000.0 | nM | 5.3 | Antimycobacterial activity against Mycobacterium tuberculosis H37Ra ATCC 25177 a... | 23927482 |
| A549 | EC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against human A549 cells after 4 days by coulter counter analysis | 23927482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23448281 | 10.1021/jm301893b | Plasmodium falciparum | 2 |
| 23927482 | 10.1021/jm400779n | Mycobacterium tuberculosis | 2 |
| 23448281 | 10.1021/jm301893b | ADMET | 1 |
| 23448281 | 10.1021/jm301893b | C32 | 1 |
| 23448281 | 10.1021/jm301893b | A549 | 1 |
| 23927482 | 10.1021/jm400779n | A549 | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Mycobacterium tuberculosis | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine