| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 27 | Yes |
Popular Name: DEMECOLCINE DEMECOLCINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 477-30-5 , [477-30-5]
1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
477-30-5; C11250; Colcemid; Demecolcine
demecolcina; demecolcine; demecolcinum
demecolcine,colcemid,n-deacetyl-n-methylcolchicine,n-methyl-n-desacetylcolchicine
| 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) | 1.74 | 8.25 | -51.65 | 2 | 6 | 1 | 71 | 372.441 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | cathartic, emetic, gout | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | EP0032145A1; EP0069385A2; EP0113864A1; EP0118915A2; EP0118917A2; EP0118917B1; EP0123948A1; EP0151030A2; EP0151030B1; EP0173990A2; EP0187547A2; EP0187547B1; EP0224885A1; EP0224885B1; EP0256280A2; EP0256280B1; EP0257084A1; EP0281795A1; EP0282160A2; EP028216 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.29 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 600 | 0.32 | Functional ≤ 10μM |
| Z81054-2-O | SF-268 (Glioblastoma Cells) (cluster #2 Of 3), Other | Other | 6200 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 600 | 0.32 | Functional ≤ 10μM |
| Z81054 | Z81054 | SF-268 (Glioblastoma Cells) | 6200 | 0.27 | Functional ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 2400 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Formation of tubulin folding intermediates by CCT/TriC | |
| Gap junction assembly | |
| Kinesins | |
| MHC class II antigen presentation | |
| Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane | |
| Mitotic Prometaphase | |
| Post-chaperonin tubulin folding pathway | |
| Prefoldin mediated transfer of substrate to CCT/TriC | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Translocation of GLUT4 to the plasma membrane |
No pre-computed analogs available. Try a structural similarity search.