CHEMBL5289040
| SMILES | CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F |
| InChIKey | KHEPRHNLTBJKJD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 776.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | GPR35 | Human | A orphans | A | pKd | 8.13 | 8.13 | 8.13 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR35 | GPR35 | Human | A orphans | A | pIC50 | 5.99 | 7.0 | 8.02 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | A | pEC50 | 7.09 | 7.09 | 7.09 | ChEMBL |