Compound Detail
CHEMBL524665
COMPLESTATINS A Enter ChEMBL ID:
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CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)CC3C(=O)Nc4cc(ccc43)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL524665 |
| Name | COMPLESTATINS A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFUGTFLRENMBAG-HYTWXIRXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1344.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.1 | 5.5 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH usin... | 32883635 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of HIV1 integrase 3' processing/strand transfer coupled activity | 11473415 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of HIV1 integrase strand transfer activity | 11473415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11473415 | 10.1021/np000632z | Human immunodeficiency virus type 1 integrase | 2 |
| 11473415 | 10.1021/np000632z | Human immunodeficiency virus 1 | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine