| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 27 | Yes |
Popular Name: N-[6-(4-fluorophenyl)-3-pyridinyl]-N'-[4-(1-piperidinyl)butyl]-Urea N-[6-(4-fluorophenyl)-3-pyridiny…
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CAS Number: 1204607-09-9
| 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) | 3.91 | 9.51 | -44.89 | 3 | 5 | 1 | 58 | 371.48 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.27 | Binding ≤ 10μM |
| ACHA7-2-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic | Eukaryotes | 44 | 0.38 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7500 | 0.27 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1300 | 0.31 | Binding ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 70 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 44 | 0.38 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 7500 | 0.27 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1300 | 0.31 | Binding ≤ 10μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 44 | 0.38 | Binding ≤ 10μM |
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 6000 | 0.27 | Binding ≤ 10μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 490 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Serotonin receptors | |
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.