Drug General Information
Drug ID
D08YAF
Former ID
DNC006638
Drug Name
PLSQETFSDLWKLLPEN-NH2
Indication Discovery agent Investigative [528232]
Structure
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2D MOL

3D MOL

Formula
C93H142N22O28
Canonical SMILES
CC(C)CC(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(<br />=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(CC(<br />=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(<br />CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NC<br />(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C5CCCN5
InChI
1S/C93H142N22O28/c1-46(2)35-61(83(133)108-65(40-52-43-99-54-22-14-13-21-53(52)54)87(137)100-56(23-15-16-32-94)79(129)106-62(36-47(3)4)84(134)111-67(38-49(7)8)93(143)115-34-18-25-70(115)91(141)103-58(27-30-73(121)122)81(131)104-60(77(97)127)41-72(96)120)107-88(138)66(42-75(125)126)109-90(140)69(45-117)113-86(136)64(39-51-19-11-10-12-20-51)110-92(142)76(50(9)118)114-82(132)59(28-31-74(123)124)101-80(130)57(26-29-71(95)119)102-89(139)68(44-116)112-85(135)63(37-48(5)6)105-78(128)55-24-17-33-98-55/h10-14,19-22,43,46-50,55-70,76,98-99,116-118H,15-18,23-42,44-45,94H2,1-9H3,(H2,95,119)(H2,96,120)(H2,97,127)(H,100,137)(H,101,130)(H,102,139)(H,103,141)(H,104,131)(H,105,128)(H,106,129)(H,107,138)(H,108,133)(H,109,140)(H,110,142)(H,111,134)(H,112,135)(H,113,136)(H,114,132)(H,121,122)(H,123,124)(H,125,126)/t50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1
InChIKey
JGQYEMDYGMNCJX-RDLTZJDDSA-N
PubChem Compound ID
Target and Pathway
Target(s) mRNA of Human mdm2 Target Info Inhibitor [528232]
KEGG Pathway FoxO signaling pathway
Cell cycle
p53 signaling pathway
Ubiquitin mediated proteolysis
Endocytosis
PI3K-Akt signaling pathway
Thyroid hormone signaling pathway
Epstein-Barr virus infection
Pathways in cancer
Transcriptional misregulation in cancer
Viral carcinogenesis
Proteoglycans in cancer
MicroRNAs in cancer
Glioma
Prostate cancer
Melanoma
Bladder cancer
Chronic myeloid leukemia
PANTHER Pathway Insulin/IGF pathway-protein kinase B signaling cascade
p53 pathway
Ubiquitin proteasome pathway
P53 pathway feedback loops 1
p53 pathway feedback loops 2
Pathway Interaction Database ErbB4 signaling events
p73 transcription factor network
ATR signaling pathway
ATM pathway
Glucocorticoid receptor regulatory network
Sumoylation by RanBP2 regulates transcriptional repression
Direct p53 effectors
Regulation of Androgen receptor activity
Validated transcriptional targets of deltaNp63 isoforms
Aurora A signaling
Validated transcriptional targets of TAp63 isoforms
p53 pathway
Regulation of retinoblastoma protein
Reactome AKT phosphorylates targets in the cytosol
Oxidative Stress Induced Senescence
Oncogene Induced Senescence
Trafficking of AMPA receptors
Constitutive Signaling by AKT1 E17K in Cancer
Stabilization of p53
WikiPathways DNA Damage Response (only ATM dependent)
DNA Damage Response
Senescence and Autophagy in Cancer
Tryptophan metabolism
G1 to S cell cycle control
Copper homeostasis
Bladder Cancer
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
PIP3 activates AKT signaling
Apoptosis
ATM Signaling Pathway
Retinoblastoma (RB) in Cancer
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Signaling Pathways in Glioblastoma
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell Cycle
Cell Cycle Checkpoints
TP53 Network
miRNA Regulation of DNA Damage Response
Androgen receptor signaling pathway
References
Ref 528232J Med Chem. 2006 Jun 15;49(12):3432-5.Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction.
Ref 528232J Med Chem. 2006 Jun 15;49(12):3432-5.Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction.

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