| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 23 | Yes |
Popular Name: Ufiprazole Ufiprazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 73590-85-9 , [73590-85-9]
2-{[(3,5-dimethyl-4-methoxy-2-pyridinyl)-methyl]-thio}-5-methoxy-1h-benzimidazole
5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
6-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfanyl}-1H-benzimidazole
| 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) | 4.00 | 6.31 | -9.46 | 1 | 5 | 0 | 60 | 329.425 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 6.73 | -35.19 | 2 | 5 | 1 | 61 | 330.433 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 6.69 | -29.65 | 2 | 5 | 1 | 61 | 330.433 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 7.11 | -87.37 | 3 | 5 | 2 | 63 | 331.441 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3-1-E | Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3900 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3_HUMAN | P32247 | Bombesin Like Receptor 3, Human | 3900 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.