| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 17 | No |
Popular Name: N-2-naphthylimidodicarbonimidic diamide N-2-naphthylimidodicarbonimidic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 5426-97-1
1-beta-Naphthylbiguanide hydrochloride; Biguanide, 1-(2-naphthyl)-, hydrochloride; LS-43945
| 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) | 1.51 | 7.66 | -39.73 | 7 | 5 | 1 | 100 | 228.279 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 7.68 | -6.65 | 6 | 5 | 0 | 98 | 227.271 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 7.17 | -103.81 | 8 | 5 | 2 | 104 | 229.287 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A-5-E | Serotonin 3a (5-HT3a) Receptor (cluster #5 Of 5), Eukaryotic | Eukaryotes | 14 | 0.65 | Binding ≤ 10μM |
| 5HT3B-2-E | Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 14 | 0.65 | Binding ≤ 10μM |
| 5HT3C-2-E | Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 14 | 0.65 | Binding ≤ 10μM |
| 5HT3D-2-E | Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 14 | 0.65 | Binding ≤ 10μM |
| 5HT3E-2-E | Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 14 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 12 | 0.65 | Binding ≤ 1μM |
| 5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 12 | 0.65 | Binding ≤ 1μM |
| 5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 12 | 0.65 | Binding ≤ 1μM |
| 5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 12 | 0.65 | Binding ≤ 1μM |
| 5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 12 | 0.65 | Binding ≤ 1μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 12 | 0.65 | Binding ≤ 10μM |
| 5HT3B_HUMAN | O95264 | Serotonin 3b (5-HT3b) Receptor, Human | 12 | 0.65 | Binding ≤ 10μM |
| 5HT3C_HUMAN | Q8WXA8 | Serotonin 3c (5-HT3c) Receptor, Human | 12 | 0.65 | Binding ≤ 10μM |
| 5HT3D_HUMAN | Q70Z44 | Serotonin 3d (5-HT3d) Receptor, Human | 12 | 0.65 | Binding ≤ 10μM |
| 5HT3E_HUMAN | A5X5Y0 | Serotonin 3e (5-HT3e) Receptor, Human | 12 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ligand-gated ion channel transport |
