Molecule Details
| InChIKey | UFPFGVNKHCLJJO-SSKFGXFMSA-N |
|---|---|
| Compound Name | Lcl-161 |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12085 |
|---|---|
| Drug Name | LCL-161 |
| CAS Number | 1005342-46-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | LCL161 has been used in trials studying the treatment of Leukemia, Neoplasms, Solid Tumors, Breast Cancer, and Ovarian Cancer, among others. |
Categories: Antineoplastic Agents Proto-Oncogene Proteins c-bcl-2, antagonists & inhibitors Sulfur Compounds
Cross-references: BindingDB: 50441356 CHEMBL2431768 ChemSpider: 30687709 PDB: IUN PubChem:24737642 PubChem:347828391 ZINC: ZINC000095929260
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96CA5 | BIRC7 | Homo sapiens | Human | PF00653 PF13920 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.7 | IC50 | ChEMBL;BindingDB |
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 7.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O15392 | O15392 | Baculoviral IAP repeat-containing protein 5 | modulator | targets |
| P98170 | XIAP | E3 ubiquitin-protein ligase XIAP | modulator | targets |
| Q13075 | Q13075 | Baculoviral IAP repeat-containing protein 1 | modulator | targets |
| Q13489 | BIRC3 | Baculoviral IAP repeat-containing protein 3 | modulator | targets |
| Q13490 | BIRC2 | Baculoviral IAP repeat-containing protein 2 | modulator | targets |
| Q96CA5 | BIRC7 | Baculoviral IAP repeat-containing protein 7 | modulator | targets |