| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 29 | Yes |
Popular Name: deoxypodophyllotoxin deoxypodophyllotoxin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19186-35-7 , [19186-35-7]
| 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) | 2.31 | 8.11 | -17.36 | 0 | 7 | 0 | 72 | 398.411 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Bcl-2-modifying factor(Q96LC9)&BH3-interacting domain death agonist(P55957)&Prostaglandin G/H synthase 2(P35354)&Nitric oxide synthase, inducible(P35228)&Signal transducer and activator of transcription 3(P40763)&Suppressor of cytokine signaling 7(O14512) | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 25 | 0.37 | Functional ≤ 10μM |
| Z50651-2-O | Vesicular Stomatitis Virus (cluster #2 Of 2), Other | Other | 25 | 0.37 | Functional ≤ 10μM |
| Z80110-1-O | CV-1 (Kidney Cells) (cluster #1 Of 2), Other | Other | 6 | 0.40 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 6 | 0.40 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 10 | 0.39 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 6 | 0.40 | Functional ≤ 10μM |
| Z80866-1-O | GLC4 Cell Line (cluster #1 Of 1), Other | Other | 8 | 0.39 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 9 | 0.39 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 7 | 0.39 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 2), Other | Other | 32 | 0.36 | ADME/T ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 1), Other | Other | 30 | 0.36 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 470 | 0.31 | Functional ≤ 10μM |
| Z80110 | Z80110 | CV-1 (Kidney Cells) | 6 | 0.40 | Functional ≤ 10μM |
| Z80866 | Z80866 | GLC4 Cell Line | 120 | 0.33 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 6.9 | 0.39 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 6 | 0.40 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 25 | 0.37 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 8.9 | 0.39 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 10 | 0.39 | Functional ≤ 10μM |
| Z50651 | Z50651 | Vesicular Stomatitis Virus | 25 | 0.37 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 30 | 0.36 | ADME/T ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 32 | 0.36 | ADME/T ≤ 10μM |
