| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 26 | No |
Popular Name: BRD-K12079898-001-01-8 BRD-K12079898-001-01-8
Find On: PubMed — Wikipedia — Google
CAS Number: 181468-88-2
5-nitro-6-(2-propan-2-ylphenyl)sulfonyl-quinolin-8-amine
6-[[2-(1-METHYLETHYL)PHENYL]]SULFONYL-5-NITRO-8-QUINOLINAMINE
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.35 | 6.7 | -16.03 | 2 | 7 | 0 | 119 | 371.418 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY1R-1-E | Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 48 | 0.39 | Binding ≤ 10μM |
| Q9ERC0-1-E | Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
| Z80491-2-O | SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other | Other | 8 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NPY1R_HUMAN | P25929 | Neuropeptide Y Receptor Type 1, Human | 48 | 0.39 | Binding ≤ 1μM |
| NPY1R_HUMAN | P25929 | Neuropeptide Y Receptor Type 1, Human | 48 | 0.39 | Binding ≤ 10μM |
| Q9ERC0_RAT | Q9ERC0 | Neuropeptide Y Receptor Type 2, Rat | 10000 | 0.27 | Binding ≤ 10μM |
| Z80491 | Z80491 | SK-N-MC (Neuroepithelioma Cells) | 8.2 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.