| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 21 | Yes |
Popular Name: Pyrilamine maleate Pyrilamine maleate
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 57383-74-1 , 59-33-6 , 59-33-6, 91-84-9 , 59-33-6, 91-84-9 [pyrilamine] , 91-84-9
57383-74-1; D08184; Fluidasa (TN); Mepyramine theophyllineacetate
59-33-6; D05660; Pymafed (TN); Pyrilamine maleate (USP)
59-33-6; Prestwick_634; Pyrilamine maleate
91-84-9; C11798; Mepyramine; Pyrilamine
N,N-Dimethyl-N'-(4-methoxybenzyl)-N'-(2-pyridyl)ethylenediamine
| 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) | 2.63 | 10.25 | -95.18 | 2 | 4 | 2 | 31 | 287.407 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 7.51 | -5.69 | 0 | 4 | 0 | 29 | 285.391 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.81e-01 g/l | DrugBank-approved |
| therap | antihistaminic | MicroSource Spectrum |
| Patent Database Links | EP1772767; EP1815846; EP1829527; EP1829528; US2003236298; US2005070525; US2005113383; US2006166960; WO2008137609 | ChEBI |
| Therapy | H1 Histamine receptor antagonist | SMDC Iconix |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R-3-E | Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 1 | 0.60 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.55 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 1100 | 0.40 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.53 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.34 | Functional ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 17 | 0.52 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 9976 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 1.3 | 0.59 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 1.8 | 0.58 | Binding ≤ 1μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 1.5 | 0.59 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 1.3 | 0.59 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1100 | 0.40 | Binding ≤ 10μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 1.5 | 0.59 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 1.8 | 0.58 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 17 | 0.52 | Functional ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 10 | 0.53 | Functional ≤ 10μM |
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 34 | 0.50 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.35 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1032 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Histamine receptors | |
| Voltage gated Potassium channels |
