Info
| ID | 1102 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "P": 2, "N": 2} |
| Abbreviation | (4) |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C47H35N2O3P2Ru/(1-36)(2-38)(3-62)(4-37)(5-42)(6-39)(7-82)(8-44)(9-71)(10-46)(11-63)(12-40)(13-45)(14-47)(15-43)(16-48)(17-49)(18-41)(19-51)(20-50)(21-53)(22-58)(23-52)(24-64)(25-56)(26-65)(27-82)(28-60)(29-61)(30-66)(31-72)(32-57)(33-54)(34-55)(35-59)(36-62)(36-67)(37-46)(37-67)(38-39)(38-40)(39-42)(40-44)(41-43)(41-48)(42-78)(43-45)(44-78)(45-79)(46-71)(47-48)(47-79)(49-50)(49-51)(50-80)(51-52)(52-53)(53-80)(54-55)(54-59)(55-68)(56-60)(56-61)(57-59)(57-69)(58-76)(58-77)(60-65)(61-66)(62-70)(63-64)(63-72)(64-70)(65-81)(66-81)(67-73)(68-69)(68-75)(69-77)(70-74)(71-83)(72-84)(73-74)(73-83)(74-84)(75-76)(75-87)(76-85)(77-86)(78-88)(79-88)(80-89)(81-89)(82-88)(82-89)(83-90)(84-90)(88-90)(89-90)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 1.3 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| HepG2 | 1.3 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| PC-3 | 1.8 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| MDA-MB-231 | 2.2 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| Caco-2 | 2.4 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| FGH | 3.2 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| A549 | 4.2 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| HUVEC | 6.9 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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