Info
| ID | 5088 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | PydMP-Ir |
| SMILES | Cc1cc2nc3c4cccnc4c4nc5ccccn5c4c3nc2cc1C.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C44H31IrN7/(1-55)(2-37)(3-40)(4-62)(5-36)(6-54)(7-42)(8-49)(9-39)(10-64)(11-41)(12-52)(13-46)(14-50)(15-45)(16-33)(17-56)(18-43)(19-44)(20-32)(21-38)(22-47)(23-33)(24-65)(25-51)(26-63)(27-32)(28-48)(29-32)(30-53)(31-33)(32-59)(33-60)(34-40)(34-57)(35-49)(35-58)(36-38)(36-62)(37-42)(37-57)(38-48)(39-40)(39-42)(41-46)(41-58)(43-51)(43-63)(44-59)(44-71)(45-60)(45-68)(46-52)(47-53)(47-54)(48-66)(49-52)(50-55)(50-61)(51-56)(53-73)(54-64)(55-65)(56-75)(57-66)(58-73)(59-60)(61-67)(61-70)(62-79)(63-78)(64-80)(65-82)(66-79)(67-69)(67-81)(68-71)(68-81)(69-72)(69-77)(70-74)(70-82)(71-77)(72-74)(72-78)(73-80)(74-76)(75-76)(75-78)(79-83)(80-83)(81-83)(82-83)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NCI-H460 | 1.1 | — | 10.1021/acsmedchemlett.9b00337 | 2019 |
| HeLa | 6.1 | — | 10.1021/acsmedchemlett.9b00337 | 2019 |
| T24 | 9.9 | — | 10.1021/acsmedchemlett.9b00337 | 2019 |
| HL-7702 | 52 | — | 10.1021/acsmedchemlett.9b00337 | 2019 |
🧬 Cell Death Types (1)
Apoptosis
high
«apoptosis induction was seen in 38.7% of MPydMP-Ir treated cells (Figure 1).»
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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