Molecule Details
| InChIKey | GXESHMAMLJKROZ-IAPPQJPRSA-N |
|---|---|
| Compound Name | Lasofoxifene |
| Canonical SMILES | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.32 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06202 |
|---|---|
| Drug Name | Lasofoxifene |
| CAS Number | 180916-16-9 |
| Groups | approved investigational withdrawn |
| ATC Codes | G03XC03 |
| Description | Lasofoxifene is a non-steroidal 3rd generation selective estrogen receptor modulator (SERM) that selectively binds to both ERα and ERβ with high affinity. It is a naphthalene derivative marketed for prevention and treatment of osteoporosis and for the treatment of vaginal atrophy. It was initially d... |
Categories: Genito Urinary System and Sex Hormones Naphthalenes Selective Estrogen Receptor Modulators Sex Hormones and Modulators of the Genital System
Cross-references: BindingDB: 20606 CHEMBL328190 ChemSpider: 187585 D04672 PDB: C3D PubChem:216416 PubChem:347827762 Wikipedia: Lasofoxifene ZINC: ZINC000003918428
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 10.0 | pIC50 | TTD_MultiTarget |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 10.0 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03372 | ESR1 | Estrogen receptor | agonist | targets |
| Q92731 | ESR2 | Estrogen receptor beta | agonist | targets |
| P03372 | ESR1 | Estrogen receptor | antagonist | targets |
| P34972 | CNR2 | Cannabinoid receptor 2 | inverse agonist | targets |
| P03420 | P03420 | Fusion glycoprotein F0 | modulator | targets |
| P03372 | ESR1 | Estrogen receptor | negative modulator | targets |