| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 21 | Yes |
Popular Name: lycorine lycorine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2188-68-3 , 476-28-8 , [2188-68-3]
| 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) | 0.54 | 1.75 | -44.7 | 3 | 5 | 1 | 63 | 288.323 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 0.3 | -8.94 | 2 | 5 | 0 | 62 | 287.315 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | antimitotic; highly toxic | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0170099A1; EP0175709A1; EP0175709B1; EP0406760A1; EP0406760B1; US4195026; US4214092; US4699912; US4866071; US4985436; US5738851; US6117428; WO1998050558A2; WO1999064379A2 | IBM Patent Data |
| UniProt Database Links | GLDH_BRAOL | ChEBI |
| Target | Transcription factor AP-1(P05412)&Mitogen-activated protein kinase 1(P28482)&Prostaglandin G/H synthase 2(P35354)&72 kDa type IV collagenase(P08253)&Matrix metalloproteinase-9(P14780)&Mu-type opioid receptor(P35372)&Neuropeptide Y(P01303)&Hypoxia-inducibl | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100516-1-O | Hs 683 (Glioma Cells) (cluster #1 Of 1), Other | Other | 2000 | 0.38 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 130 | 0.46 | Functional ≤ 10μM |
| Z80479-1-O | SK-MEL (Melanoma Cells) (cluster #1 Of 1), Other | Other | 8400 | 0.34 | Functional ≤ 10μM |
| Z80485-1-O | SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other | Other | 8500 | 0.34 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 4300 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 2000 | 0.38 | Functional ≤ 10μM |
| Z100516 | Z100516 | Hs 683 (Glioma Cells) | 2000 | 0.38 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 130 | 0.46 | Functional ≤ 10μM |
| Z80479 | Z80479 | SK-MEL (Melanoma Cells) | 8400 | 0.34 | Functional ≤ 10μM |
| Z80485 | Z80485 | SK-MEL-28 (Melanoma Cells) | 2000 | 0.38 | Functional ≤ 10μM |
