Compound Detail
CHEMBL391545
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COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=C(OC)C1=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL391545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBTATFWXOONVKZ-WUNXPXPTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
2.38
ALogP
10
HBA
3
HBD
172.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17442565 | 10.1016/j.bmcl.2006.12.041 | NON-PROTEIN TARGET | 3 |
| 17442565 | 10.1016/j.bmcl.2006.12.041 | ADMET | 2 |
| 17442565 | 10.1016/j.bmcl.2006.12.041 | Molecular identity unknown | 1 |
| 17442565 | 10.1016/j.bmcl.2006.12.041 | P19 | 1 |
Data from ChEMBL 36 via Core Engine