Compound Detail
CHEMBL4224995
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(OC/C=C/S(=O)(=O)c6ccccc6)cc5)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4224995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZLIUORCVUDARA-CCIKHBFUSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
703.0
MW (Da)
10.63
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29609908 | 10.1016/j.bmcl.2018.03.039 | Trypanosoma brucei | 1 |
| 29609908 | 10.1016/j.bmcl.2018.03.039 | HepG2 | 1 |
| 29609908 | 10.1016/j.bmcl.2018.03.039 | Rhodesain | 1 |
Data from ChEMBL 36 via Core Engine