Info
| ID | 6996 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 5} |
| Abbreviation | Rh1 |
| SMILES | CC#N.O=C([N-]c1ccccc1)c1nc(-n2nc(C(F)(F)F)cc2-c2ccccc2)ccc1Cl.[Cl-].[Cl-] |
TUCAN
C24H16ClF3N5ORh/(1-27)(2-23)(3-29)(4-18)(5-21)(6-20)(7-30)(8-28)(9-22)(10-24)(11-25)(12-26)(13-19)(14-17)(15-17)(16-17)(17-32)(18-21)(18-23)(19-22)(19-40)(20-33)(20-34)(21-31)(22-37)(23-25)(24-25)(24-31)(26-27)(26-28)(27-29)(28-30)(29-35)(30-35)(31-33)(32-41)(33-43)(34-39)(34-42)(35-45)(36-38)(36-40)(36-44)(37-43)(37-44)(38-45)(38-46)(39-47)(39-48)(39-49)(40-50)(42-43)(44-51)(45-51)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| T24 | 0.8 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
| A549 | 1.3 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
| T24 | 1.7 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
| HeLa | 2.5 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
| WI-38 | 2.7 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
| BEL-7404 | 2.8 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
| SK-OV-3 | 3 | — | 10.1021/acs.jmedchem.3c00318 | 2023 |
🧬 Cell Death Types (2)
Apoptosis
high
«The mechanism study indicated that Rh1 and Rh2 inhibited cell proliferation by multiple modes of action via cell cycle arrest, apoptosis, and autophagy»
Autophagy
high
«The mechanism study indicated that Rh1 and Rh2 inhibited cell proliferation by multiple modes of action via cell cycle arrest, apoptosis, and autophagy»
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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