| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 38 | No |
Popular Name: SR-48965 SR-48965
(S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide
Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-
N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide
N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
| 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) | 5.76 | 1.23 | -61.6 | 2 | 5 | 1 | 53 | 553.554 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.22 | Binding ≤ 10μM |
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.33 | Binding ≤ 10μM |
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.30 | Binding ≤ 10μM |
| NK3R-1-E | Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 208 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 593 | 0.23 | Binding ≤ 1μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 0.51 | 0.34 | Binding ≤ 1μM |
| NK2R_BOVIN | P05363 | Neurokinin 2 Receptor, Bovin | 0.5 | 0.34 | Binding ≤ 1μM |
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 0.13 | 0.36 | Binding ≤ 1μM |
| NK2R_RAT | P16610 | Neurokinin 2 Receptor, Rat | 0.5 | 0.34 | Binding ≤ 1μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 208 | 0.25 | Binding ≤ 1μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 593 | 0.23 | Binding ≤ 10μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 0.51 | 0.34 | Binding ≤ 10μM |
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 0.13 | 0.36 | Binding ≤ 10μM |
| NK2R_RAT | P16610 | Neurokinin 2 Receptor, Rat | 0.5 | 0.34 | Binding ≤ 10μM |
| NK2R_BOVIN | P05363 | Neurokinin 2 Receptor, Bovin | 0.5 | 0.34 | Binding ≤ 10μM |
| NK3R_HUMAN | P29371 | Neurokinin 3 Receptor, Human | 208 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
