| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 17th, 2008 | 28 | Yes |
Popular Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[5-(p-tolyl)-2H-pyrazol-3-yl]methanone [4-(2-methoxyphenyl)piperazin-1-…
| 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) | 3.71 | 9.38 | -9.07 | 1 | 6 | 0 | 61 | 376.46 | 4 | ↓ |
| Ref Reference (pH 7) | 3.71 | 9.54 | -9.99 | 1 | 6 | 0 | 61 | 376.46 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 510 | 0.31 | Binding ≤ 10μM |
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 390 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 510 | 0.31 | Binding ≤ 1μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 510 | 0.31 | Binding ≤ 10μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 390 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
