| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 37 | Yes |
Popular Name: LS-49986 LS-49986
| 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) | 5.56 | -0.5 | -14.79 | 3 | 7 | 0 | 96 | 495.579 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997049393A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 1.05 | 0.34 | Binding ≤ 1μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 1.05 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
