| BioID | bio2086 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL351406 |
|---|
| Molecular Formula | C20H12O |
|---|
| Molecular Weight | 268.31 |
|---|
| Molecular Weight (Monoisotopic) | 268.0888 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Hydroxybenzo[A]Pyrene|Benzo[Def]Chrysen-9-Ol |
|---|
| Smiles | Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45 |
|---|
| Inchi | InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H |
|---|
| Inchi Key | OBBBXCAFTKLFGZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 0.55 |
|---|
| Records Key | ['9-Hydroxybenzo[a]pyrene', '12'] |
|---|
| Records Name | ['9-Hydroxybenzo[a]pyrene', 'Benzo[def]chrysen-9-ol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
