Compound Detail
CHEMBL1928580
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C=C(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1928580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSVUNIKEYUWHML-GDHXYORVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
484.8
MW (Da)
7.57
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21995505 | 10.1021/np200429b | Plasmodium falciparum | 1 |
| 21995505 | 10.1021/np200429b | Mycobacterium tuberculosis | 1 |
| 21995505 | 10.1021/np200429b | Vero | 1 |
| 21995505 | 10.1021/np200429b | KB | 1 |
| 21995505 | 10.1021/np200429b | NCI-H187 | 1 |
| 21995505 | 10.1021/np200429b | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine