Molecule Details
| InChIKey | DGLFSNZWRYADFC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-Amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol |
| Canonical SMILES | CC(C)(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y2I7 | PIKFYVE | Homo sapiens | Human | PF00118 PF00610 PF01363 PF01504 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9NQU5 | PAK6 | Homo sapiens | Human | PF00786 PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q96PN8 | TSSK3 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9P286 | PAK5 | Homo sapiens | Human | PF00786 PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q99558 | MAP3K14 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q5TCY1 | TTBK1 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| Q9BXA7 | TSSK1B | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |