Compound Detail
CHEMBL574520
PESTALAMIDE A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL574520 |
| Name | PESTALAMIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBQPQUZBAGHRDN-NSHDSACASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
1.60
ALogP
5
HBA
2
HBD
113.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.19
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspergillus fumigatus CHEMBL363 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.19 | 4.19 | 64200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | IC50 | = | 1500.0 | nM | 5.82 | Antifungal activity against Aspergillus fumigatus ATCC 10894 by microplate reade... | 18855443 |
| Human immunodeficiency virus 1 | EC50 | = | 64200.0 | nM | 4.19 | Antiviral activity against HIV1 LAI infected in human C8166 cells assessed as in... | 18855443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18855443 | 10.1021/np800357g | Aspergillus fumigatus | 2 |
| 21854017 | 10.1021/np200454z | Staphylococcus aureus | 2 |
| 21854017 | 10.1021/np200454z | Klebsiella pneumoniae | 2 |
| 21854017 | 10.1021/np200454z | Escherichia coli | 2 |
| 21854017 | 10.1021/np200454z | Acinetobacter baumannii | 2 |
| 18855443 | 10.1021/np800357g | Human immunodeficiency virus 1 | 1 |
| 18855443 | 10.1021/np800357g | C8166 | 1 |
| 21854017 | 10.1021/np200454z | Candida albicans | 1 |
| 21854017 | 10.1021/np200454z | Staphylococcus epidermidis | 1 |
| 21854017 | 10.1021/np200454z | Pseudomonas aeruginosa | 1 |
| 21854017 | 10.1021/np200454z | Enterobacter cloacae | 1 |
| 21854017 | 10.1021/np200454z | Burkholderia cepacia | 1 |
Data from ChEMBL 36 via Core Engine