Compound Detail
CHEMBL3393117
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3393117 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LWVCBKYWIGBMEF-HCOPGLORSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1511.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apical membrane antigen 1 CHEMBL3559647 | Kd | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Apical membrane antigen 1 | Kd | = | 40000.0 | nM | 4.4 | Binding affinity to Plasmodium falciparum 3D7 AMA1 (108 to 434) expressed in Esc... | 25068708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25068708 | 10.1021/jm500390g | Apical membrane antigen 1 | 2 |
Data from ChEMBL 36 via Core Engine