Drug Information

Drug General Information
Drug ID
D01QKK
Former ID
DNC006637
Drug Name
NUTLIN-3
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530476]
Structure
Download
2D MOL

3D MOL
Formula
C30H30Cl2N4O4
Canonical SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=C<br />C=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
InChIKey
BDUHCSBCVGXTJM-WUFINQPMSA-N
PubChem Compound ID
216345
Target and Pathway
Target(s) Cellular tumor antigenp53 Target Info Inhibitor [530476]
mRNA of Human mdm2 Target Info Inhibitor [529211]
KEGG Pathway MAPK signaling pathway
Sphingolipid signaling pathway
Cell cycle
p53 signaling pathway
PI3K-Akt signaling pathway
Apoptosis
Wnt signaling pathway
Neurotrophin signaling pathway
Thyroid hormone signaling pathway
Amyotrophic lateral sclerosis (ALS)
Huntington's disease
Hepatitis C
Hepatitis B
Measles
HTLV-I infection
Herpes simplex infection
Epstein-Barr virus infection
Pathways in cancer
Transcriptional misregulation in cancer
Viral carcinogenesis
Proteoglycans in cancer
MicroRNAs in cancer
Colorectal cancer
Pancreatic cancer
Endometrial cancer
Glioma
Prostate cancer
Thyroid cancer
Basal cell carcinoma
Melanoma
Bladder cancer
Chronic myeloid leukemia
Small cell lung cancer
Non-small cell lung cancer
Central carbon metabolism in cancerhsa04068:FoxO signaling pathway
Ubiquitin mediated proteolysis
Endocytosis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
Huntington disease
Wnt signaling pathway
p53 pathway
P53 pathway feedback loops 1
p53 pathway by glucose deprivation
p53 pathway feedback loops 2P00033:Insulin/IGF pathway-protein kinase B signaling cascade
Ubiquitin proteasome pathway
p53 pathway feedback loops 2
Pathway Interaction Database Signaling events mediated by HDAC Class III
Validated targets of C-MYC transcriptional activation
LKB1 signaling events
Glucocorticoid receptor regulatory network
Direct p53 effectors
p75(NTR)-mediated signaling
AP-1 transcription factor network
Hypoxic and oxygen homeostasis regulation of HIF-1-alpha
Signaling mediated by p38-alpha and p38-beta
Aurora A signaling
BARD1 signaling events
p53 pathway
PLK3 signaling eventserbb4_pathway:ErbB4 signaling events
p73 transcription factor network
ATR signaling pathway
ATM pathway
Sumoylation by RanBP2 regulates transcriptional repression
Regulation of Androgen receptor activity
Validated transcriptional targets of deltaNp63 isoforms
Validated transcriptional targets of TAp63 isoforms
Regulation of retinoblastoma protein
Reactome Activation of NOXA and translocation to mitochondria
Activation of PUMA and translocation to mitochondria
Pre-NOTCH Transcription and Translation
Oxidative Stress Induced Senescence
Formation of Senescence-Associated Heterochromatin Foci (SAHF)
Oncogene Induced Senescence
DNA Damage/Telomere Stress Induced Senescence
Autodegradation of the E3 ubiquitin ligase COP1
TP53 Regulates Metabolic Genes
Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks
Stabilization of p53
Factors involved in megakaryocyte development and platelet productionR-HSA-198323:AKT phosphorylates targets in the cytosol
Trafficking of AMPA receptors
Constitutive Signaling by AKT1 E17K in Cancer
WikiPathways DNA Damage Response (only ATM dependent)
DNA Damage Response
ErbB Signaling Pathway
Senescence and Autophagy in Cancer
G1 to S cell cycle control
Sandbox Pathway
Wnt Signaling Pathway and Pluripotency
MAPK Signaling Pathway
TGF beta Signaling Pathway
Copper homeostasis
Bladder Cancer
Mammary gland development pathway - Involution (Stage 4 of 4)
Pre-NOTCH Expression and Processing
Apoptosis
ATM Signaling Pathway
Amyotrophic lateral sclerosis (ALS)
Retinoblastoma (RB) in Cancer
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Gastric cancer network 2
Prostate Cancer
Signaling Pathways in Glioblastoma
Metastatic brain tumor
Alzheimers Disease
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Intrinsic Pathway for Apoptosis
Factors involved in megakaryocyte development and platelet production
Cell Cycle
Cell Cycle Checkpoints
Apoptosis Modulation and Signaling
Folate Metabolism
TP53 Network
Fluoropyrimidine Activity
miRNAs involved in DNA damage response
miRNA Regulation of DNA Damage Response
AMPK SignalingWP710:DNA Damage Response (only ATM dependent)
Tryptophan metabolism
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
PIP3 activates AKT signaling
Androgen receptor signaling pathway
References
Ref 530476J Med Chem. 2009 Nov 26;52(22):7044-53.Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.
Ref 529211Nature. 2007 Dec 13;450(7172):1001-9.Reaching for high-hanging fruit in drug discovery at protein-protein interfaces.
Ref 530476J Med Chem. 2009 Nov 26;52(22):7044-53.Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.

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