In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 24 | Yes |
Popular Name: 1-Piperidinecarboxylic acid, 4-oxo-3-(phenylmethyl)-, phenylmethyl ester 1-Piperidinecarboxylic acid, 4-o…
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CAS Number: 156080-47-6
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) | 3.26 | 10.97 | -8.35 | 0 | 4 | 0 | 47 | 323.392 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8100 | 0.30 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 8100 | 0.30 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Tachykinin receptors bind tachykinins |