Molecule Details
| InChIKey | BVVFOLSZMQVDKV-KXQIQQEYSA-N |
|---|---|
| Compound Name | Ici 164384 |
| Canonical SMILES | CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03860 |
|---|---|
| Drug Name | ICI-164384 |
| CAS Number | 98007-99-9 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Alkenes Alkynes Amides Estradiol Congeners Estranes Estrenes Estrogen Antagonists Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormone Antagonists Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hydrocarbons, Acyclic Steroids
Cross-references: BindingDB: 50471252 ChEBI: 40710 CHEMBL1222035 ChemSpider: 94580 C14758 PDB: AOE PubChem:104772 PubChem:46506133 Wikipedia: ICI-164384 ZINC: ZINC000003917379
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.7 | Ki | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.5 | Ki | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.8 | pIC50 | TTD_MultiTarget |