| BioID | bio2624 |
|---|
| Name | VERUCERFONT |
|---|
| ChEMBL ID | CHEMBL1287935 |
|---|
| Molecular Formula | C22H26N6O2 |
|---|
| Molecular Weight | 406.49 |
|---|
| Molecular Weight (Monoisotopic) | 406.2117 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GSK-561,679|GSK-561679|GSK-561679A|GSK561679|GSK561679A|NBI-77860|VERUCERFONT|Verucerfont |
|---|
| Smiles | CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1 |
|---|
| Inchi | InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1 |
|---|
| Inchi Key | VKHVAUKFLBBZFJ-SFHVURJKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | -1.65 |
|---|
| Records Key | ['VERUCERFONT', '(S)-8d, NBI-77860, GSK-561679', 'VERUCERFONT'] |
|---|
| Records Name | ['VERUCERFONT', '3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-((S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl)pyrazolo[1,5-a]pyrimidin-7-amine', 'VERUCERFONT'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
