Molecule Details
| InChIKey | WZMVQZJKOVPVGZ-XIFFEERXSA-N |
|---|---|
| Compound Name | 3-((E)-3-Carboxy-3-phenyl-allyl)-4,6-dichloro-1H-indole-2-carboxylic acid |
| Canonical SMILES | COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.5 | IC50 | ChEMBL;BindingDB |
| P25103 | TACR1 | Homo sapiens | Human | PF00001 | 8.5 | IC50 | ChEMBL;BindingDB |
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |
| P29371 | TACR3 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |