Compound Detail
CHEMBL4476007
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CC(=O)N1CCC(C2=C(C)c3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC(CF)C3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4476007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASHIUGJZVZKVGV-LJAQVGFWSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
4.84
ALogP
5
HBA
1
HBD
62.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31311734 | 10.1016/j.bmcl.2019.07.013 | ADMET | 4 |
| 31311734 | 10.1016/j.bmcl.2019.07.013 | Estrogen receptor | 1 |
| 31311734 | 10.1016/j.bmcl.2019.07.013 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine