| BioID | bio2253 |
|---|
| Name | ROLAFAGREL |
|---|
| ChEMBL ID | CHEMBL2107064 |
|---|
| Molecular Formula | C14H12N2O2 |
|---|
| Molecular Weight | 240.26 |
|---|
| Molecular Weight (Monoisotopic) | 240.0899 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ROLAFAGREL |
|---|
| Smiles | O=C(O)c1ccc2c(c1)C=C(n1ccnc1)CC2 |
|---|
| Inchi | InChI=1S/C14H12N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-9H,3-4H2,(H,17,18) |
|---|
| Inchi Key | DQEDSIVMYUUZCK-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.41 |
|---|
| Records Key | ['ROLAFAGREL', 'MMV1647065'] |
|---|
| Records Name | ['ROLAFAGREL', 'MMV1647065'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
