| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 28 | Yes |
Popular Name: 7-phenethyl-5-(1-piperidyl)-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine 7-phenethyl-5-(1-piperidyl)-3,6,…
| 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) | 3.19 | 10.17 | -26.06 | 4 | 6 | 1 | 75 | 377.516 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 9.7 | -9.07 | 3 | 6 | 0 | 74 | 376.508 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 9.69 | -15.29 | 3 | 6 | 0 | 74 | 376.508 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 12 | -59.37 | 4 | 6 | 1 | 75 | 377.516 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 11.97 | -54.5 | 4 | 6 | 1 | 75 | 377.516 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 10.15 | -25.78 | 4 | 6 | 1 | 75 | 377.516 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3-1-E | Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7906 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3_HUMAN | P32247 | Bombesin Like Receptor 3, Human | 10000 | 0.25 | Functional ≤ 10μM |
| BRS3_RAT | Q8K418 | Bombesin Receptor Subtype-3, Rat | 7906 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
