Drug Information

Drug General Information
Drug ID
D04LDH
Former ID
DNC000371
Drug Name
BZ6
Drug Type
Small molecular drug
Indication Ataxia telangiectasia [ICD10:G11.3] Investigative [535762]
Structure
Download
2D MOL

3D MOL
Formula
C132H136Cl4MgN4Pd4S8
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)SCC2=CC(=CC(=[C-]2)CSC3=CC=C(C=C3)<br />C(C)(C)C)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C([N-]7)C(=C8C=CC4<br />=N8)C9=CC(=[C-]C(=C9)CSC1=CC=C(C=C1)C(C)(C)C)CSC1=CC=C(<br />C=C1)C(C)(C)C)C1=CC(=[C-]C(=C1)CSC1=CC=C(C=C1)C(C)(C)C)<br />CSC1=CC=C(C=C1)C(C)(C)C)C=C6)C1=CC(=[C-]C(=C1)CSC1=CC=C<br />(C=C1)C(C)(C)C)CSC1=CC=C(C=C1)C(C)(C)C)[N-]5.[Mg+2].Cl[<br />Pd+].Cl[Pd+].Cl[Pd+].Cl[Pd+]
InChI
1S/C132H136N4S8.4ClH.Mg.4Pd/c1-125(2,3)97-25-41-105(42-26-97)137-77-85-65-86(78-138-106-43-27-98(28-44-106)126(4,5)6)70-93(69-85)121-113-57-59-115(133-113)122(94-71-87(79-139-107-45-29-99(30-46-107)127(7,8)9)66-88(72-94)80-140-108-47-31-100(32-48-108)128(10,11)12)117-61-63-119(135-117)124(96-75-91(83-143-111-53-37-103(38-54-111)131(19,20)21)68-92(76-96)84-144-112-55-39-104(40-56-112)132(22,23)24)120-64-62-118(136-120)123(116-60-58-114(121)134-116)95-73-89(81-141-109-49-33-101(34-50-109)129(13,14)15)67-90(74-95)82-142-110-51-35-102(36-52-110)130(16,17)18;;;;;;;;;/h25-64,69-76H,77-84H2,1-24H3;4*1H;;;;;/q-6;;;;;5*+2/p-4
InChIKey
RDFPNZSRTVDWIG-UHFFFAOYSA-J
CAS Number
CAS 100-02-7
PubChem Compound ID
24798865
PubChem Substance ID
49743286, 134339814
ChEBI ID
ChEBI:16836
Target and Pathway
Target(s) Poly [ADP-ribose] polymerase-1 Target Info Inhibitor [535762]
KEGG Pathway Base excision repair
NF-kappa B signaling pathway
PANTHER Pathway FAS signaling pathway
Pathway Interaction Database Integrin-linked kinase signaling
Caspase Cascade in Apoptosis
Notch-mediated HES/HEY network
Reactome Dual Incision in GG-NER
WikiPathways FAS pathway and Stress induction of HSP regulation
Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer
Nanoparticle triggered regulated necrosis
Corticotropin-releasing hormone
References
Ref 535762Identification of potent nontoxic poly(ADP-Ribose) polymerase-1 inhibitors: chemopotentiation and pharmacological studies. Clin Cancer Res. 2003 Jul;9(7):2711-8.
Ref 535762Identification of potent nontoxic poly(ADP-Ribose) polymerase-1 inhibitors: chemopotentiation and pharmacological studies. Clin Cancer Res. 2003 Jul;9(7):2711-8.

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