| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 34 | Yes |
Popular Name: N-(1-ethylpropyl)-3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide N-(1-ethylpropyl)-3-[(4-isopropy…
| 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) | 5.30 | 11.3 | -43.59 | 2 | 5 | 1 | 50 | 459.658 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.30 | 9.03 | -8.41 | 1 | 5 | 0 | 48 | 458.65 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.30 | 11.89 | -35.86 | 2 | 5 | 1 | 50 | 459.658 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 19 | 0.32 | Binding ≤ 10μM |
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1210 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 18.5 | 0.32 | Binding ≤ 1μM |
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 18.5 | 0.32 | Binding ≤ 10μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 1210 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
