Compound Detail
CHEMBL501413
ANNOMONTINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL501413 |
| Name | ANNOMONTINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUDMZJRPDRCJEB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.51 | 5.485 | 3060.0 | 2 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.46 | 4.46 | 34800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3060.0 | nM | 5.51 | Antimalarial activity against Plasmodium falciparum INDO infected in erythrocyte... | 36931118 |
| Plasmodium falciparum | IC50 | = | 3440.0 | nM | 5.46 | Antimalarial activity against Plasmodium falciparum 3D7 infected in erythrocytes... | 36931118 |
| Leishmania braziliensis | IC50 | = | 34800.0 | nM | 4.46 | Antileishmanial activity against Leishmania braziliensis MHOM/BR/95/IOCL-2033 pr... | 16499336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36931118 | 10.1016/j.ejmech.2023.115247 | Plasmodium falciparum | 2 |
| 16499336 | 10.1021/np050422s | Leishmania braziliensis | 1 |
| 16499336 | 10.1021/np050422s | Leishmania guyanensis | 1 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | MCF7 | 1 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | HCT-116 | 1 |
| 34332400 | 10.1016/j.ejmech.2021.113688 | A549 | 1 |
| 36931118 | 10.1016/j.ejmech.2023.115247 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine