Molecule Details
| InChIKey | HCZMRRZYIBUPSV-VMPITWQZSA-N |
|---|---|
| Compound Name | Nmdar/hdac-IN-1 |
| Canonical SMILES | CC12CC3CC(C)(C1)CC(NC(=O)/C=C/c1ccc(C(=O)NO)cc1)(C3)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.29 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.8 | IC50 | ChEMBL |
| O15399 | GRIN2D | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | Ki | ChEMBL |
| O60391 | GRIN3B | Homo sapiens | Human | PF00060 PF10613 | 6.2 | Ki | ChEMBL |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | Ki | ChEMBL |
| Q12879 | GRIN2A | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.2 | Ki | ChEMBL |
| Q13224 | GRIN2B | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.2 | Ki | ChEMBL |
| Q14957 | GRIN2C | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.2 | Ki | ChEMBL |
| Q8TCU5 | GRIN3A | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.2 | Ki | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL |