Compound Detail
CHEMBL440524
TETRAHYDROHARMAN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL440524 |
| Name | TETRAHYDROHARMAN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPIJOZBIVDCQTE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
2.37
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.85 | 5.2233 | 1400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1400.0 | nM | 5.85 | Antimalarial activity against multi drug resistant Plasmodium falciparum W2 | 34058709 |
| Plasmodium falciparum | IC50 | = | 7500.0 | nM | 5.12 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 19781948 |
| Plasmodium falciparum | IC50 | = | 20100.0 | nM | 4.7 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 | 19781948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781948 | 10.1016/j.bmc.2009.08.057 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 12930153 | 10.1021/jm030080s | 5-hydroxytryptamine receptor 5A | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | THP-1 | 1 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine