Molecule Details
| InChIKey | PWPNYABQEOGNNC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Lx-7101 |
| Canonical SMILES | Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16009 |
|---|---|
| Drug Name | LX-7101 |
| CAS Number | 1192189-69-7 |
| Groups | investigational |
| ATC Codes | nan |
| Description | LX-7101 is under investigation in clinical trial NCT01528111 (Study to Evaluate the Safety, Tolerability, and Efficacy of LX7101 in Subjects With Primary Open-angle Glaucoma or Ocular Hypertension). |
Cross-references: BindingDB: 50044004 CHEMBL3356433 ChemSpider: 35308210 ZINC: ZINC000142095785
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53671 | LIMK2 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 8.2 | IC50 | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.5 | IC50 | ChEMBL;BindingDB |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.2 | IC50 | ChEMBL;BindingDB |