| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
1,2-Dihydro-4-methoxy-1-methyl-2-oxo-3-pyridinecarbonitrile
3-Cyano-4-methoxy-1-methyl-2-pyridone
4-Methoxy-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
4-Methoxy-2-oxo-1-methyl-1,2-dihydronicotinonitrile
524-40-3; Prestwick_1041; Ricinine
| 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) | 0.02 | 3.13 | -21.32 | 0 | 4 | 0 | 55 | 164.164 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Alkaloid from Ricinus communis (castor-oil) seed (Euphorbiaceae) | ZereneX Building Blocks |
| mechanism | Blocker of the GABA(A) receptor | IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0041656A2; EP0812878A2; EP1009220A1; US3948686; US3954726; US4028183; US4053503; US4057686; US4336202; US5468487; US5580410; US5668292; US5801026; US5928645; US5928918; US5959187; US6028248; WO1996010075A1; WO1997030582A1; WO1998012913A1 | IBM Patent Data |
| biological_use | Nootropic | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.