Compound Detail
CHEMBL2442174
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C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL2442174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UROPIWALBBMYRP-NXHCPLBVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.7
MW (Da)
5.55
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24084159 | 10.1016/j.bmcl.2013.09.013 | Vero | 1 |
| 24084159 | 10.1016/j.bmcl.2013.09.013 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine