Compound Detail
CHEMBL312559
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C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCC(O)CC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL312559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMGOOYNZGZEVLA-SCTVBEECSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
2.48
ALogP
9
HBA
3
HBD
141.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773056 | 10.1021/jm030110r | NON-PROTEIN TARGET | 2 |
| 12773056 | 10.1021/jm030110r | 3Y1 cell line | 1 |
| 12773056 | 10.1021/jm030110r | NRK | 1 |
| 12773056 | 10.1021/jm030110r | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine