| BioID | bio1962 |
|---|
| Name | NETAZEPIDE |
|---|
| ChEMBL ID | CHEMBL324547 |
|---|
| Molecular Formula | C28H30N6O3 |
|---|
| Molecular Weight | 498.59 |
|---|
| Molecular Weight (Monoisotopic) | 498.2379 |
|---|
| Type | Protein |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | NETAZEPIDA|NETAZEPIDE|Netazepide|SOGRAZEPIDE|YF-476|YF476 |
|---|
| Smiles | CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |
|---|
| Inchi | InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1 |
|---|
| Inchi Key | YDZYKNJZCVIKPP-VWLOTQADSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | -0.83 |
|---|
| Records Key | ['NETAZEPIDE', '10', '6, YF476', '1, YF476', '15c', '(3R)-3', 'Netazepide', 'Netazepide', 'EOS100009'] |
|---|
| Records Name | ['NETAZEPIDE', '(R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(3-(methylamino)phenyl)urea', '(R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(3-(methylamino)phenyl)urea', '(R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(3-(methylamino)phenyl)urea', '1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-methylamino-phenyl)-urea', '(R)-1-(1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(3-(methylamino)phenyl)urea', 'Netazepide', 'Netazepide', 'Netazepide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
