Compound Detail
CHEMBL102997
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CO[C@@H]1[C@H](OC(=O)NC(=O)c2ccccc2)CO[C@]2(COC(C)(C)O2)[C@@]1(O)C1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL102997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQOWZGJHEMTLMB-NJRRNULDSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.4
MW (Da)
0.97
ALogP
9
HBA
2
HBD
125.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00564-1 | Gallus gallus | 1 |
| - | 10.1016/S0960-894X(96)00564-1 | A-431 | 1 |
| - | 10.1016/S0960-894X(96)00564-1 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine