Compound Detail
CHEMBL1081700
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CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)c5cocc5C=C[C@H]4[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1081700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASIGVUKHFQVAFS-XTKXXMFCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.6
MW (Da)
6.19
ALogP
2
HBA
1
HBD
33.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19658408 | 10.1021/np900326a | SK-OV-3 | 1 |
| 19658408 | 10.1021/np900326a | SK-MEL | 1 |
| 19658408 | 10.1021/np900326a | BT-549 | 1 |
| 19658408 | 10.1021/np900326a | Vero | 1 |
| 19658408 | 10.1021/np900326a | Staphylococcus aureus | 1 |
| 19658408 | 10.1021/np900326a | Mycobacterium intracellulare | 1 |
Data from ChEMBL 36 via Core Engine