Compound Detail
CHEMBL501076
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C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL501076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPYJMOFNKRFSHT-XGUXKNSRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
4.35
ALogP
8
HBA
5
HBD
136.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10346964 | 10.1021/np980432b | NON-PROTEIN TARGET | 4 |
| 19200744 | 10.1016/j.bmc.2009.01.022 | ADMET | 3 |
| 19200744 | 10.1016/j.bmc.2009.01.022 | A549 | 2 |
| 19200744 | 10.1016/j.bmc.2009.01.022 | DLD-1 | 2 |
| 19115839 | 10.1021/np800579x | A549 | 1 |
| 19115839 | 10.1021/np800579x | DLD-1 | 1 |
| 19115839 | 10.1021/np800579x | MCF7 | 1 |
| 19115839 | 10.1021/np800579x | PC-3 | 1 |
| 19115839 | 10.1021/np800579x | ADMET | 1 |
| 28987603 | 10.1016/j.ejmech.2017.09.041 | CCRF-CEM | 1 |
| 28987603 | 10.1016/j.ejmech.2017.09.041 | MCF7 | 1 |
| 28987603 | 10.1016/j.ejmech.2017.09.041 | HeLa | 1 |
| 28987603 | 10.1016/j.ejmech.2017.09.041 | G-361 | 1 |
| 28987603 | 10.1016/j.ejmech.2017.09.041 | BJ | 1 |
Data from ChEMBL 36 via Core Engine