Compound Detail
CHEMBL1213807
TETRADEHYDROLONGICAUDATINE Enter ChEMBL ID:
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C/C=C1/C[n+]2ccc3c([nH]c4ccccc43)c2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL1213807 |
| Name | TETRADEHYDROLONGICAUDATINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKIWVAIOZAWAMC-FDTQMQQESA-N |
| Parent Compound | CHEMBL1229027 |
| Active Moiety | CHEMBL1229027 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.8
MW (Da)
5.78
ALogP
3
HBA
2
HBD
46.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine