Compound Detail
CHEMBL53588
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COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O
Basic Information
| ChEMBL ID | CHEMBL53588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMGWZHNOYQVRLT-UMNDVAMSSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
-2.34
ALogP
9
HBA
3
HBD
148.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021918 | 10.1021/jm00038a008 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine