Compound Detail
CHEMBL256563
MONEPANTEL Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL256563 |
| Name | MONEPANTEL |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | WTERNLDOAPYGJD-SFHVURJKSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
473.4
MW (Da)
5.28
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Endoparasiticide for systemic use | - | - | ✓ | ✓ |
Indications
Motor Neuron Disease
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caenorhabditis elegans CHEMBL613135 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Haemonchus contortus CHEMBL613144 | IC50 | 7.12 | 6.8733 | 75.0 | 3 |
| MCF-10A CHEMBL614321 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | IC50 | = | 30.0 | nM | 7.52 | Anthelmintic activity against Caenorhabditis elegans N2 Bristol assessed as redu... | 38134663 |
| Haemonchus contortus | IC50 | = | 75.0 | nM | 7.12 | Anti-helmintic activity against fourth stage of Haemonchus contortus larvae asse... | 32018095 |
| Haemonchus contortus | IC50 | = | 160.0 | nM | 6.8 | Anti-helmintic activity against third-stage Haemonchus contortus larvae assessed... | 32018095 |
| Haemonchus contortus | IC50 | = | 200.0 | nM | 6.7 | Anthelmintic activity against third stage larvae of Haemonchus contortus assesse... | 36799121 |
| MCF-10A | IC50 | = | 26900.0 | nM | 4.57 | Cytotoxicity against human MCF-10A cells assessed as inhibition of cell viabilit... | 32018095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36799121 | 10.1021/acs.jnatprod.2c01041 | Haemonchus contortus | 4 |
| 32018095 | 10.1016/j.ejmech.2020.112100 | Haemonchus contortus | 2 |
| 32018095 | 10.1016/j.ejmech.2020.112100 | MCF-10A | 2 |
| 18400497 | 10.1016/j.bmcl.2008.03.071 | Haemonchus contortus | 1 |
| 18400497 | 10.1016/j.bmcl.2008.03.071 | Trichostrongylus colubriformis | 1 |
| 38134663 | 10.1016/j.bmc.2023.117540 | Caenorhabditis elegans | 1 |
Data from ChEMBL 36 via Core Engine