Compound Detail
CHEMBL2368118
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C[C@H]1[C@@H](CCc2ccc(C(=O)O)cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL2368118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULFXMPVBUZAXFP-PTBRYTJWSA-N |
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.57
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 258.66 | hr | - |
| T1/2 | 13.1 | hr | - |
| T1/2 | 258.66 | hr | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12383020 | 10.1021/jm020244p | Mus musculus | 7 |
| 12383020 | 10.1021/jm020244p | Plasmodium falciparum | 2 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 2 |
| 12383020 | 10.1021/jm020244p | ADMET | 1 |
| 16380253 | 10.1016/j.bmcl.2005.11.074 | Gallus gallus | 1 |
| - | 10.1039/C2MD00277A | ADMET | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Unchecked | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium chabaudi | 1 |
Data from ChEMBL 36 via Core Engine