| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: (2-amino-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methanone (2-amino-4-methoxy-phenyl)-(3,4,…
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) | 2.49 | 0.8 | -9.59 | 2 | 6 | 0 | 80 | 317.341 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TBA1A-1-E | Tubulin Alpha-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 400 | 0.39 | Functional ≤ 10μM |
| TBB1-1-E | Tubulin Beta-1 Chain (cluster #1 Of 2), Eukaryotic | Eukaryotes | 400 | 0.39 | Functional ≤ 10μM |
| Z80099-3-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #3 Of 3), Other | Other | 17 | 0.47 | Functional ≤ 10μM |
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 5 | 0.51 | Functional ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 36 | 0.45 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 42 | 0.45 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 23 | 0.46 | Functional ≤ 10μM |
| Z80255-2-O | MES-SA/DxS (Uterine Sarcoma Cells) (cluster #2 Of 2), Other | Other | 53 | 0.44 | Functional ≤ 10μM |
| Z80555-1-O | TSGH (cluster #1 Of 1), Other | Other | 26 | 0.46 | Functional ≤ 10μM |
| Z80798-1-O | CPT30 Cell Line (cluster #1 Of 1), Other | Other | 37 | 0.45 | Functional ≤ 10μM |
| Z80900-1-O | HA22T Cell Line (cluster #1 Of 1), Other | Other | 48 | 0.45 | Functional ≤ 10μM |
| Z80967-2-O | Hone-1 Cell Line (cluster #2 Of 2), Other | Other | 36 | 0.45 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 46 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 17 | 0.47 | Functional ≤ 10μM |
| Z80798 | Z80798 | CPT30 Cell Line | 37.3 | 0.45 | Functional ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 5 | 0.51 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 36 | 0.45 | Functional ≤ 10μM |
| Z80900 | Z80900 | HA22T Cell Line | 48 | 0.45 | Functional ≤ 10μM |
| Z80967 | Z80967 | Hone-1 Cell Line | 3 | 0.52 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 42 | 0.45 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 18.9 | 0.47 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 23 | 0.46 | Functional ≤ 10μM |
| Z80255 | Z80255 | MES-SA/DxS (Uterine Sarcoma Cells) | 4 | 0.51 | Functional ≤ 10μM |
| Z80555 | Z80555 | TSGH | 26 | 0.46 | Functional ≤ 10μM |
| TBA1A_RAT | P68370 | Tubulin Alpha-1 Chain, Rat | 400 | 0.39 | Functional ≤ 10μM |
| TBB1_HUMAN | Q9H4B7 | Tubulin Beta-1 Chain, Human | 400 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Formation of tubulin folding intermediates by CCT/TriC | |
| Gap junction assembly | |
| Kinesins | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| 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 mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Recycling pathway of L1 | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Translocation of GLUT4 to the plasma membrane |
