Compound Detail
CHEMBL360685
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C[C@@H]1C[C@@]2(N=C(N)CS2)C2(O)O[C@@H]3C[C@@]4(COC(=O)c5ccccc5)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1
Basic Information
| ChEMBL ID | CHEMBL360685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXEFGARJQIVEOL-YKCQPAHQSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
722.9
MW (Da)
4.35
ALogP
12
HBA
3
HBD
159.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689169 | 10.1021/jm049405a | NON-PROTEIN TARGET | 1 |
| 15689169 | 10.1021/jm049405a | U373 MG | 1 |
| 15689169 | 10.1021/jm049405a | HCT-15 | 1 |
| 15689169 | 10.1021/jm049405a | LoVo | 1 |
| 15689169 | 10.1021/jm049405a | A549 | 1 |
| 15689169 | 10.1021/jm049405a | Mus musculus | 1 |
| 15689169 | 10.1021/jm049405a | Sodium/potassium-transporting ATPase subunit alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine