| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 35 | Yes |
Popular Name: Bazedoxifene acetate Bazedoxifene acetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 198480-56-7 , 198481-32-2 , 198481-33-3 , [198481-33-3]
198481-33-3; Bazedoxifene acetate (JAN/USAN); D03062; Viviant (TN)
Bazedoxifene (INN); Bazedoxifene Acetate (FDA
| 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) | 6.39 | 12.31 | -42.55 | 3 | 5 | 1 | 59 | 471.621 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.39 | 10.4 | -10.13 | 2 | 5 | 0 | 58 | 470.613 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 7.75 | -3.23 | 0 | 0 | 0 | 0 | 184.279 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Estrogen/progestin receptor | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 23 | 0.31 | Binding ≤ 10μM |
| ESR2-1-E | Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 85 | 0.28 | Binding ≤ 10μM |
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.34 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 4 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 0.6 | 0.37 | Binding ≤ 1μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 3.8 | 0.34 | Binding ≤ 1μM |
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 0.6 | 0.37 | Binding ≤ 10μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 3.8 | 0.34 | Binding ≤ 10μM |
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 3.7 | 0.34 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 0.4 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
