Molecule Details
| InChIKey | IRPKGHDXTSHWAC-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[3-[2-(hydroxyamino)-2-oxoethyl]phenyl]-3-(4-methoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide |
| Canonical SMILES | COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Nc2cccc(CC(=O)NO)c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.2 | IC50 | ChEMBL |
| P43116 | PTGER2 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.6 | IC50 | ChEMBL |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.0 | IC50 | ChEMBL |