| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 25 | No |
Popular Name: 3-(3-hydroxy-4-methoxy-phenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 3-(3-hydroxy-4-methoxy-phenyl)-1…
| 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) | 2.78 | 1.46 | -14.7 | 1 | 6 | 0 | 74 | 344.363 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 620 | 0.35 | Binding ≤ 10μM |
| Z103202-2-O | 8505C (cluster #2 Of 2), Other | Other | 50 | 0.41 | Functional ≤ 10μM |
| Z103204-1-O | A427 (cluster #1 Of 4), Other | Other | 51 | 0.41 | Functional ≤ 10μM |
| Z103205-1-O | A431 (cluster #1 Of 4), Other | Other | 15 | 0.44 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 2600 | 0.31 | Functional ≤ 10μM |
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 4 | 0.47 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 22 | 0.43 | Functional ≤ 10μM |
| Z80322-2-O | NCI-H358 (Lung Carcinama Cells) (cluster #2 Of 2), Other | Other | 17 | 0.44 | Functional ≤ 10μM |
| Z80526-2-O | SW480 (Colon Adenocarcinoma Cells) (cluster #2 Of 6), Other | Other | 102 | 0.39 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 68 | 0.40 | Functional ≤ 10μM |
| Z80847-3-O | FaDu (Pharyngeal Carcinoma Cells) (cluster #3 Of 3), Other | Other | 41 | 0.41 | Functional ≤ 10μM |
| Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 25 | 0.43 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 16 | 0.44 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 17 | 0.44 | Functional ≤ 10μM |
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 3), Other | Other | 4 | 0.47 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 620 | 0.35 | Binding ≤ 1μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 620 | 0.35 | Binding ≤ 10μM |
| Z103202 | Z103202 | 8505C | 49.7 | 0.41 | Functional ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 15.6 | 0.44 | Functional ≤ 10μM |
| Z103204 | Z103204 | A427 | 51.2 | 0.41 | Functional ≤ 10μM |
| Z103205 | Z103205 | A431 | 15 | 0.44 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 67.5 | 0.40 | Functional ≤ 10μM |
| Z80847 | Z80847 | FaDu (Pharyngeal Carcinoma Cells) | 41 | 0.41 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 25.1 | 0.43 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 2600 | 0.31 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4.3 | 0.47 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 17 | 0.44 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 110 | 0.39 | Functional ≤ 10μM |
| Z80322 | Z80322 | NCI-H358 (Lung Carcinama Cells) | 17.1 | 0.43 | Functional ≤ 10μM |
| Z80526 | Z80526 | SW480 (Colon Adenocarcinoma Cells) | 102 | 0.39 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4.3 | 0.47 | 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 |
