| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 35 | Yes |
Popular Name: DNC005872 DNC005872
None
| 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) | 5.55 | 2.5 | -48.55 | 1 | 5 | 1 | 48 | 472.584 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 2.72 | -103.77 | 2 | 5 | 2 | 50 | 473.592 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 59 | 0.29 | Binding ≤ 10μM |
| NK1R-2-E | Neurokinin 1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5200 | 0.21 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.33 | Functional ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5200 | 0.21 | Functional ≤ 10μM |
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3388 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 59 | 0.29 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 59 | 0.29 | Binding ≤ 10μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 5200 | 0.21 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 59 | 0.29 | Functional ≤ 10μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 5.28 | 0.33 | Functional ≤ 10μM |
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 3388 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Histamine receptors | |
| Tachykinin receptors bind tachykinins |
