| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 22 | No |
Popular Name: 2-Methoxyestradiol 2-Methoxyestradiol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1228077-85-7 , 362-07-2 , [362-07-2]
(17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol
(17beta)-2-Methoxyestra-1,3,5(10)-triene-3,17-diol
1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER
1,3,5(10)-Estratriene-2,3,17-triol 2-methyl ether
2,3,17beta-Trihydroxy-1,3,5(10)-estratriene 2-methyl ether
2-Hydroxyestradiol 2-methyl ether
2-Hydroxyestradol 2-methyl ether
2-Hydroxyestradol 2-methyl ether; 2-methoxyestradiol; Panzem
2-Methoxy-17beta-estradiol; 2-Methoxyestradiol-17beta; 362-07-2; C05302
2-methoxy-estra-1,3,5(10)-triene-3,17beta-diol
2-methoxy-estradiol-17b; 2-methoxyestradiol
2-Methoxyestra-1,3,5(10)-triene-3,17beta-diol
3,17beta-Dihydroxy-2-methoxy-1,3,5(10)-estratriene
B3C40B85-1733-48FE-8418-A39011910D19
CHEBI:42274; CHEBI:1187; CHEBI:19675
estra-1(10),2,4-triene-3,17-diol, 2-methoxy-, (17beta)-
Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17beta)-
| 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) | 3.25 | 4.79 | -6.89 | 2 | 3 | 0 | 50 | 302.414 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | HIF | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3-1-E | Tubulin Alpha Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4700 | 0.34 | Binding ≤ 10μM |
| Q862L2-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4700 | 0.34 | Binding ≤ 10μM |
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4700 | 0.34 | Binding ≤ 10μM |
| Q862F3-1-E | Tubulin Alpha Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.35 | Functional ≤ 10μM |
| Q862L2-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.35 | Functional ≤ 10μM |
| TBB2B-1-E | Tubulin Beta Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5300 | 0.34 | Functional ≤ 10μM |
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 900 | 0.38 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 842 | 0.39 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 2650 | 0.35 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 867 | 0.39 | Functional ≤ 10μM |
| Z81057-2-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #2 Of 4), Other | Other | 840 | 0.39 | Functional ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 500 | 0.40 | Functional ≤ 10μM |
| Z81245-1-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other | Other | 1000 | 0.38 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 608 | 0.40 | Functional ≤ 10μM |
| Z81252-4-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #4 Of 11), Other | Other | 790 | 0.39 | Functional ≤ 10μM |
| Z81057-2-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #2 Of 5), Other | Other | 840 | 0.39 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 4700 | 0.34 | Binding ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 4700 | 0.34 | Binding ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 2900 | 0.35 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 586 | 0.40 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 3400 | 0.35 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 523 | 0.40 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 500 | 0.40 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 2390 | 0.36 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 1000 | 0.38 | Functional ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 1000 | 0.38 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 2650 | 0.35 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 2268 | 0.36 | Functional ≤ 10μM |
| Q862F3_BOVIN | Q862F3 | Tubulin Alpha Chain, Bovin | 1400 | 0.37 | Functional ≤ 10μM |
| Q862L2_BOVIN | Q862L2 | Tubulin Alpha-1 Chain, Bovin | 3100 | 0.35 | Functional ≤ 10μM |
| TBB2B_BOVIN | Q6B856 | Tubulin Beta Chain, Bovin | 1400 | 0.37 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 840 | 0.39 | ADME/T ≤ 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 |
