Compound Detail
CHEMBL22077
HYCANTHONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL22077 |
| Name | HYCANTHONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MFZWMTSUNYWVBU-UHFFFAOYSA-N |
7
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
356.5
MW (Da)
3.66
ALogP
5
HBA
2
HBD
52.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 9 meas. best 7.1
EC50 1 meas. best 6.1
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| DNA repair nuclease/redox regulator APEX1 CHEMBL5619 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Calf thymus DNA CHEMBL612514 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.2825 | 2673.8 | 4 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3024.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine