| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 25 | No |
Popular Name: 74045-97-9; C10090; Psorospermin 74045-97-9; C10090; Psorospermin
Find On: PubMed — Wikipedia — Google
CAS Number: 74045-97-9
None
| 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) | 3.56 | -0.72 | -15.85 | 1 | 6 | 0 | 81 | 340.331 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80100-1-O | COLO 320 (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 69 | 0.40 | Functional ≤ 10μM |
| Z80125-9-O | DU-145 (Prostate Carcinoma) (cluster #9 Of 9), Other | Other | 210 | 0.37 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 640 | 0.35 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 570 | 0.35 | Functional ≤ 10μM |
| Z80433-1-O | RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other | Other | 290 | 0.37 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 270 | 0.37 | Functional ≤ 10μM |
| Z80800-1-O | MIA PaCa-2 (Pancreatic Carcinoma Cells) (cluster #1 Of 2), Other | Other | 380 | 0.36 | Functional ≤ 10μM |
| Z80871-1-O | Granta Cell Line (cluster #1 Of 1), Other | Other | 40 | 0.41 | Functional ≤ 10μM |
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 380 | 0.36 | Functional ≤ 10μM |
| Z81190-1-O | NCI-H520 (cluster #1 Of 2), Other | Other | 770 | 0.34 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 710 | 0.34 | Functional ≤ 10μM |
| Z81283-1-O | NCI-H522 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 2), Other | Other | 450 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80100 | Z80100 | COLO 320 (Colon Adenocarcinoma Cells) | 69 | 0.40 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 210 | 0.37 | Functional ≤ 10μM |
| Z80871 | Z80871 | Granta Cell Line | 40 | 0.41 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1460 | 0.33 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 380 | 0.36 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 1110 | 0.33 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 570 | 0.35 | Functional ≤ 10μM |
| Z80800 | Z80800 | MIA PaCa-2 (Pancreatic Carcinoma Cells) | 210 | 0.37 | Functional ≤ 10μM |
| Z81190 | Z81190 | NCI-H520 | 770 | 0.34 | Functional ≤ 10μM |
| Z81283 | Z81283 | NCI-H522 (Non-small Cell Lung Carcinoma Cells) | 450 | 0.36 | Functional ≤ 10μM |
| Z80433 | Z80433 | RPMI-8226 (Multiple Myeloma Cells) | 230 | 0.37 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 270 | 0.37 | Functional ≤ 10μM |
