| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 36 | Yes |
Popular Name: 2-phenyl-N-[(1R)-1-phenylpropyl]-3-(2-pyrrolidin-1-ylethoxy)quinoline-4-carboxamide 2-phenyl-N-[(1R)-1-phenylpropyl]…
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) | 5.23 | 14.82 | -37.36 | 2 | 5 | 1 | 56 | 480.632 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.23 | 12.25 | -9.6 | 1 | 5 | 0 | 54 | 479.624 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0804419A1; EP0940391A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 6.8 | 0.32 | Binding ≤ 1μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 6.8 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
