Molecule Details
| InChIKey | JNUGFGAVPBYSHF-UHFFFAOYSA-N |
|---|---|
| Compound Name | L-778123 |
| Canonical SMILES | N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.5 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07227 |
|---|---|
| Drug Name | L-778123 |
| CAS Number | 183499-57-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50097071 CHEMBL279433 ChemSpider: 187601 PDB: 778 PubChem:216454 PubChem:99443698 ZINC: ZINC000053070632
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P01111 | NRAS | Homo sapiens | Human | PF00071 | 9.5 | Ki | ChEMBL |
| P01112 | HRAS | Homo sapiens | Human | PF00071 | 8.8 | Ki | ChEMBL |
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 8.7 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 8.5 | IC50 | ChEMBL;BindingDB |
| P53609 | PGGT1B | Homo sapiens | Human | PF00432 | 7.0 | IC50 | ChEMBL |