Compound Detail
CHEMBL2206425
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C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(CO)nn3)[C@@H]2CC1
Basic Information
| ChEMBL ID | CHEMBL2206425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPACYGPCQUVRPT-XAIPBDPLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
1.61
ALogP
7
HBA
1
HBD
89.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22985027 | 10.1021/jm301064b | No relevant target | 1 |
| 22985027 | 10.1021/jm301064b | NON-PROTEIN TARGET | 1 |
| 22985027 | 10.1021/jm301064b | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine