| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 32 | Yes |
Popular Name: 3-amino-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)quinoline-4-carboxamide 3-amino-N-[(S)-cyclopropyl-(3-fl…
| 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) | 5.40 | 10.9 | -10.92 | 3 | 4 | 0 | 68 | 429.47 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.36 | Binding ≤ 10μM |
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 6.30957344 | 0.36 | Binding ≤ 1μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 6.30957344 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
