Molecule Details
| InChIKey | MMZYGJCCLIZGBV-UHFFFAOYSA-N |
|---|---|
| Compound Name | N'-hexyl-2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carbohydrazide |
| Canonical SMILES | CCCCCCNNC(=O)c1cnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)nc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 8.2 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.0 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |