Molecule Details
| InChIKey | JWOGUUIOCYMBPV-GMFLJSBRSA-N |
|---|---|
| Compound Name | Apicidin |
| Canonical SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.41 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 10.4 | pIC50 | TTD_MultiTarget |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 9.9 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 9.9 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 9.0 | pIC50 | TTD_MultiTarget |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 8.1 | IC50 | ChEMBL |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 8.1 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 8.1 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 8.1 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 8.1 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 7.8 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.7 | IC50 | ChEMBL;BindingDB |
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL;BindingDB |
| A0A7G2HKG3 | Cryptosporidium parvum | Pathogen | PF00850 | 9.0 | IC50 | BindingDB | |
| Q9GUA8 | HD1 | Cryptosporidium parvum | Pathogen | PF00850 | 9.0 | IC50 | ChEMBL |
| Q9GU59 | HD2 | Cryptosporidium parvum | Pathogen | PF00850 | 8.6 | IC50 | ChEMBL |