Compound Detail
CHEMBL2035562
BUTYROLACTONE IV Enter ChEMBL ID:
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COC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](C(C)(C)O)O3)OC(=O)C(O)=C1c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2035562 |
| Name | BUTYROLACTONE IV |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVAIFFOQCAKMAH-HOYKHHGWSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
2.45
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22360613 | 10.1021/np200866z | MCF7 | 1 |
| 29295795 | 10.1016/j.bmcl.2017.12.049 | Alpha glucosidase | 1 |
| 29295795 | 10.1016/j.bmcl.2017.12.049 | No relevant target | 1 |
| 30392953 | 10.1016/j.bmc.2018.10.040 | HCC1806 | 1 |
| 30392953 | 10.1016/j.bmc.2018.10.040 | PANC-1 | 1 |
| 30392953 | 10.1016/j.bmc.2018.10.040 | HepG2 | 1 |
| 30392953 | 10.1016/j.bmc.2018.10.040 | BEAS-2B | 1 |
| 30392953 | 10.1016/j.bmc.2018.10.040 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine