Info
| ID | 4679 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru-NAP |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccnc(-c2cc(C)ccn2)c1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O.c1ccc(-c2ccccn2)nc1.c1ccc... |
TUCAN
C68H84N16O13Ru/(1-136)(2-101)(3-108)(4-91)(5-97)(6-109)(7-119)(8-98)(9-108)(10-92)(11-93)(12-124)(13-89)(14-120)(15-94)(16-133)(17-96)(18-134)(19-88)(20-99)(21-95)(22-104)(23-87)(24-89)(25-137)(26-110)(27-112)(28-88)(29-141)(30-139)(31-89)(32-112)(33-123)(34-141)(35-105)(36-125)(37-103)(38-106)(39-121)(40-109)(41-102)(42-88)(43-100)(44-122)(45-117)(46-135)(47-86)(48-86)(49-107)(50-85)(51-85)(52-107)(53-86)(54-85)(55-126)(56-114)(57-138)(58-110)(59-111)(60-114)(61-126)(62-90)(63-90)(64-113)(65-140)(66-87)(67-111)(68-125)(69-87)(70-113)(71-118)(72-90)(73-154)(74-160)(75-153)(76-154)(77-157)(78-155)(79-153)(80-159)(81-158)(82-156)(83-181)(84-180)(85-107)(86-117)(87-139)(88-116)(89-118)(90-118)(91-92)(91-127)(92-97)(93-94)(93-98)(94-128)(95-96)(95-99)(96-131)(97-119)(98-120)(99-121)(100-105)(100-122)(101-115)(101-130)(102-115)(102-124)(103-116)(103-129)(104-116)(104-123)(105-106)(106-132)(107-117)(108-109)(108-134)(109-148)(110-111)(110-137)(111-125)(112-138)(112-145)(113-114)(113-126)(114-140)(115-143)(117-135)(118-133)(119-163)(120-164)(121-165)(122-166)(123-167)(124-168)(125-161)(126-162)(127-128)(127-163)(128-164)(129-130)(129-167)(130-168)(131-132)(131-165)(132-166)(133-142)(133-156)(134-152)(134-157)(135-149)(135-159)(136-141)(136-146)(136-160)(137-147)(137-161)(138-151)(138-155)(139-150)(139-158)(140-144)(140-162)(141-180)(142-160)(142-170)(143-155)(143-172)(144-156)(144-174)(145-154)(145-169)(146-159)(146-175)(147-157)(147-173)(148-153)(148-176)(149-161)(149-178)(150-162)(150-177)(151-158)(151-179)(152-171)(152-181)(163-182)(164-182)(165-182)(166-182)(167-182)(168-182)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 2.9 | 0.033 | 10.1021/jacs.4c11820 | 2024 |
| MDA-MB-231 | 2.9 | 0.082 | 10.1021/jacs.4c11820 | 2024 |
| MCF-7 | 3.2 | 0.089 | 10.1021/jacs.4c11820 | 2024 |
| HeLa | 3.6 | 0.11 | 10.1021/jacs.4c11820 | 2024 |
| HEK293 | — | 17 | 10.1021/jacs.4c11820 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«causing cell cycle arrest in the G2/M phase and triggering apoptosis»
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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