In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 31 | Yes |
Popular Name: 1-[1-(1-methylcyclooctyl)-4-piperidyl]-2-[(3R)-1-methyl-3-piperidyl]benzimidazole 1-[1-(1-methylcyclooctyl)-4-pipe…
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) | 5.79 | 15.45 | -102.95 | 2 | 4 | 2 | 27 | 424.677 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.79 | 13.07 | -47.13 | 1 | 4 | 1 | 26 | 423.669 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.79 | 16 | -179.08 | 3 | 4 | 3 | 28 | 425.685 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2190 | 0.26 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 70 | 0.32 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 67 | 0.32 | Binding ≤ 10μM |
OPRX-1-E | Nociceptin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 25 | 0.34 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 3.7 | 0.38 | Binding ≤ 1μM |
OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 0.2 | 0.44 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 2190 | 0.26 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 25 | 0.34 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 3.7 | 0.38 | Binding ≤ 10μM |
OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 0.2 | 0.44 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |