Compound Detail
CHEMBL1241239
CONCANAMYCIN A Enter ChEMBL ID:
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C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL1241239 |
| Name | CONCANAMYCIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJZCTUVALDDONK-HQMSUKCRSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
866.1
MW (Da)
4.98
ALogP
14
HBA
6
HBD
225.9
PSA (Ų)
0.12
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.74 | 9.13 | 0.2 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 8.35 | 8.1875 | 4.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.18 | nM | 9.74 | Inhibition of Nef protein-dependent MHC-1 HLA-A2 down modulation in human CD4 po... | 38452116 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of V-ATpase in Saccharomyces cerevisiae BY4742 vacuolar membranes aft... | 33151675 |
| Plasmodium falciparum | IC50 | = | 4.5 | nM | 8.35 | Antimalarial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR gre... | 20813948 |
| Plasmodium falciparum | IC50 | = | 7.0 | nM | 8.15 | Antimalarial activity against NITD609-resistant Plasmodium falciparum Dd2 Clone1... | 20813948 |
| Plasmodium falciparum | IC50 | = | 7.0 | nM | 8.15 | Antimalarial activity against NITD609-resistant Plasmodium falciparum Dd2 Clone3... | 20813948 |
| Plasmodium falciparum | IC50 | = | 8.0 | nM | 8.1 | Antimalarial activity against NITD609-resistant Plasmodium falciparum Dd2 Clone2... | 20813948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33151675 | 10.1021/acs.jnatprod.0c00813 | Saccharomyces cerevisiae | 5 |
| 20813948 | 10.1126/science.1193225 | Plasmodium falciparum | 4 |
| 33151675 | 10.1021/acs.jnatprod.0c00813 | Unchecked | 4 |
| 38452116 | 10.1021/acs.jmedchem.3c01574 | Unchecked | 4 |
| 38452116 | 10.1021/acs.jmedchem.3c01574 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine