| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 32 | Yes |
Popular Name: 4-chloro-N-[4-[[(1S,2S)-2-guanidinocyclohexyl]amino]-6-methyl-quinazolin-2-yl]benzamide 4-chloro-N-[4-[[(1S,2S)-2-guanid…
| 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) | 4.50 | 12 | -49.92 | 7 | 8 | 1 | 131 | 452.97 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4000 | 0.24 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1200 | 0.26 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 310 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 310 | 0.28 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 4000 | 0.24 | Binding ≤ 10μM |
| OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 1200 | 0.26 | Binding ≤ 10μM |
| OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 310 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
