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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22FN3O3
Molecular Weight 395.4268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-2461

SMILES

COC1CCN(CC1)C(=O)C2=CC(CC3=NNC(=O)C4=C3C=CC=C4)=CC=C2F

InChI

InChIKey=HYNBNUYQTQIHJK-UHFFFAOYSA-N
InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)

HIDE SMILES / InChI

Description

AZD-2461 is an oral inhibitor of PARP-1, which was developed by AstraZeneca as a potential anti-cancer medicine. The drug was tested in phase I clinical patients against solid tumosr, but its development was discontinued.

Originator

AstraZeneca
131

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
Poly [ADP-ribose] polymerase 1
7
Inhibitor
8,504

Conditions

ConditionModalityTargetsHighest PhaseProduct
Solid tumors
147
 Primary
Phase I
438
Unknown

PubMed

Patents

US2011015393
1
US2012129855
1
US8129380
1

Sample Use Guides

In Vivo Use Guide
AZD-2461 is taken orally in form of capsules.
Route of Administration: Oral
In Vitro Use Guide
Human MCF-7 and SKBr-3 primary breast carcinoma cell lines were treated with AZD2461 at concentrations ranging from 5 uM to 50 uM for 48 and 72 hours. The drug inhibited the cells growth with IC50 values of 40.93 and 23.23 uM for MCF-7 cells and 26.77 and 14.94 uM for SKBr-3 cells at 48 and 72 hours, respectively.
ACTIVE MOIETY
Structure of AZD-2461
NIH
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