Compound Detail
CHEMBL2391730
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COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(C[N+](C)(C)C)c2)ccc1O.[I-]
Basic Information
| ChEMBL ID | CHEMBL2391730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVBVHQGMTFQLBQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3041164 |
| Active Moiety | CHEMBL3041164 |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.57
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23357628 | 10.1016/j.bmcl.2012.12.098 | HCT-116 | 1 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | A549 | 1 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | SGC-7901 | 1 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine