| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 27 | Yes |
Popular Name: (4-Methoxyphenyl)[1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl]-methanone (4-Methoxyphenyl)[1-[2-(4-morpho…
Find On: PubMed — Wikipedia — Google
CAS Number: 103608-67-9
| 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) | 3.54 | 8.18 | -14.5 | 0 | 5 | 0 | 44 | 364.445 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 390 | 0.33 | Binding ≤ 10μM |
| PTGDS-1-E | Prostaglandin-H2 D-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.27 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 101 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 390 | 0.33 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 390 | 0.33 | Binding ≤ 10μM |
| PTGDS_MOUSE | O09114 | Prostaglandin-H2 D-isomerase, Mouse | 5000 | 0.27 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 101 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
