| BioID | bio816 |
|---|
| Name | DIHYDRODISCORHABDIN C |
|---|
| ChEMBL ID | CHEMBL447553 |
|---|
| Molecular Formula | C18H15Br2N3O2 |
|---|
| Molecular Weight | 465.15 |
|---|
| Molecular Weight (Monoisotopic) | 462.9531 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | 3-Dihydrodiscorhabdin C|3-Hydroxydihydrodiscorhabdin|Dihydrodiscorhabdin C |
|---|
| Smiles | O=C1C2=C(C3=NCCc4c[nH]c1c43)C1(C=C(Br)C(O)C(Br)=C1)CCN2 |
|---|
| Inchi | InChI=1S/C18H15Br2N3O2/c19-9-5-18(6-10(20)16(9)24)2-4-22-15-12(18)13-11-8(1-3-21-13)7-23-14(11)17(15)25/h5-7,16,22-24H,1-4H2 |
|---|
| Inchi Key | PYSBSZHLMZJQFU-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 19.0 |
|---|
| Bioactivities | 32.0 |
|---|
| Np Likeness Score | 2.61 |
|---|
| Records Key | ['3', '7', '3', 'table 3, no 5'] |
|---|
| Records Name | ['3-Dihydrodiscorhabdin C', 'Dihydrodiscorhabdin C', '3-dihydrodiscorhabdin C', '3-hydroxydihydrodiscorhabdin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
