| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 30 | Yes |
Popular Name: 2-(2,4-dichlorophenoxy)-N-[2-(2-dimethylaminoethoxy)-4-methyl-6-quinolyl]acetamide 2-(2,4-dichlorophenoxy)-N-[2-(2-…
| 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) | 5.17 | 9.94 | -46.35 | 2 | 6 | 1 | 65 | 449.358 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 10.65 | -99.65 | 3 | 6 | 2 | 66 | 450.366 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2600 | 0.26 | Binding ≤ 10μM |
| ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 2 | 0.41 | Binding ≤ 10μM |
| ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 5 | 0.39 | Binding ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.39 | Binding ≤ 10μM |
| HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| MCHR1-2-E | Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 85 | 0.33 | Binding ≤ 10μM |
| MCHR2-1-E | Melanin-concentrating Hormone Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1480 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 0.25 | 0.45 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 0.25 | 0.45 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 0.25 | 0.45 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 7.5 | 0.38 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.3 | 0.41 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 3.5 | 0.39 | Binding ≤ 1μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 0.87 | 0.42 | Binding ≤ 1μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 180 | 0.31 | Binding ≤ 1μM |
| MCHR2_HUMAN | Q969V1 | Melanin-concentrating Hormone Receptor 2, Human | 8.7 | 0.38 | Binding ≤ 1μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1.7 | 0.41 | Binding ≤ 1μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 4.5 | 0.39 | Binding ≤ 1μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 0.2 | 0.45 | Binding ≤ 1μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 0.61 | 0.43 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 0.25 | 0.45 | Binding ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 0.25 | 0.45 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 0.25 | 0.45 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 7.5 | 0.38 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1.3 | 0.41 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 3.5 | 0.39 | Binding ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 0.87 | 0.42 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 180 | 0.31 | Binding ≤ 10μM |
| MCHR2_HUMAN | Q969V1 | Melanin-concentrating Hormone Receptor 2, Human | 8.7 | 0.38 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1.7 | 0.41 | Binding ≤ 10μM |
| ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 4.5 | 0.39 | Binding ≤ 10μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 0.2 | 0.45 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 0.61 | 0.43 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 2500 | 0.26 | Binding ≤ 10μM |
| MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 1480 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Histamine receptors | |
| Muscarinic acetylcholine receptors | |
| Peptide ligand-binding receptors | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.
