Compound Detail
CHEMBL505319
TETRADEHYDROLONGICAUDATINE Y Enter ChEMBL ID:
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C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/CO)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24
Basic Information
| ChEMBL ID | CHEMBL505319 |
| Name | TETRADEHYDROLONGICAUDATINE Y |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAOCQHSCOLQBFR-NMWCRYOMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.8
MW (Da)
5.06
ALogP
5
HBA
3
HBD
66.0
PSA (Ų)
0.37
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.02 | 5.965 | 958.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 958.0 | nM | 6.02 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2/I... | 12398531 |
| Plasmodium falciparum | IC50 | = | 1236.0 | nM | 5.91 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCA ... | 12398531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12398531 | 10.1021/np020070e | Plasmodium falciparum | 5 |
Data from ChEMBL 36 via Core Engine