Drug Information

Drug General Information
Drug ID
D0A2LX
Former ID
DNC003934
Drug Name
Y-c[D-Pen-(3-I)Tyr-GSFC]KR-NH2
Indication Discovery agent Investigative [534651]
Structure
Download
2D MOL

3D MOL
Formula
C52H73IN14O12S2
Canonical SMILES
CC1(C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)<br />NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)N)CC2=CC=CC=C2)CO)CC3=<br />CC(=C(C=C3)O)I)NC(=O)C(CC4=CC=C(C=C4)O)N)C
InChI
1S/C52H73IN14O12S2/c1-52(2)42(67-44(73)33(55)22-29-13-16-31(69)17-14-29)50(79)65-36(24-30-15-18-40(70)32(53)21-30)45(74)60-25-41(71)61-38(26-68)48(77)64-37(23-28-9-4-3-5-10-28)47(76)66-39(27-80-81-52)49(78)63-35(11-6-7-19-54)46(75)62-34(43(56)72)12-8-20-59-51(57)58/h3-5,9-10,13-18,21,33-39,42,68-70H,6-8,11-12,19-20,22-27,54-55H2,1-2H3,(H2,56,72)(H,60,74)(H,61,71)(H,62,75)(H,63,78)(H,64,77)(H,65,79)(H,66,76)(H,67,73)(H4,57,58,59)/t33-,34-,35-,36-,37+,38-,39+,42-/m0/s1
InChIKey
NXLJKZAAHWHFCS-YLYTWGDESA-N
PubChem Compound ID
44312363
Target and Pathway
Target(s) Lck tyrosine kinase Target Info Inhibitor [534651]
Proto-oncogene tyrosine-protein kinase SRC Target Info Inhibitor [534651]
KEGG Pathway NF-kappa B signaling pathway
Osteoclast differentiation
Natural killer cell mediated cytotoxicity
T cell receptor signaling pathway
HTLV-I infection
Primary immunodeficiencyhsa04012:ErbB signaling pathway
Rap1 signaling pathway
Chemokine signaling pathway
Endocytosis
VEGF signaling pathway
Focal adhesion
Adherens junction
Tight junction
Gap junction
Platelet activation
GABAergic synapse
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
GnRH signaling pathway
Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Oxytocin signaling pathway
Bacterial invasion of epithelial cells
Epithelial cell signaling in Helicobacter pylori infection
Shigellosis
Tuberculosis
Hepatitis B
Viral carcinogenesis
Proteoglycans in cancer
NetPath Pathway TCR Signaling Pathway
IL2 Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Parkinson disease
T cell activationP00005:Angiogenesis
Cadherin signaling pathway
Integrin signalling pathway
CCKR signaling map ST
Pathway Interaction Database Atypical NF-kappaB pathway
Glypican 1 network
TCR signaling in na&#xef
Signaling events mediated by PTP1B
IL12-mediated signaling events
Regulation of p38-alpha and p38-beta
TCR signaling in na&#xef
Thromboxane A2 receptor signaling
SHP2 signaling
IL2-mediated signaling events
CXCR4-mediated signaling events
Class I PI3K signaling events
IL2 signaling events mediated by PI3K
amb2 Integrin signaling
EPHA forward signaling
PDGFR-beta signaling pathway
IL2 signaling events mediated by STAT5
Ephrin B reverse signaling
Alpha-synuclein signalingendothelinpathway:Endothelins
Signaling events mediated by PRL
LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
S1P3 pathway
EPHB forward signaling
Nectin adhesion pathway
CDC42 signaling events
Signaling events regulated by Ret tyrosine kinase
Arf6 signaling events
Signaling events mediated by TCPTP
FAS (CD95) signaling pathway
Netrin-mediated signaling events
Alpha9 beta1 integrin signaling events
EGF receptor (ErbB1) signaling pathway
Posttranslational regulation of adherens junction stability and dissassembly
Regulation of Androgen receptor activity
E-cadherin signaling in the nascent adherens junction
Integrins in angiogenesis
ErbB1 downstream signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
ErbB2/ErbB3 signaling events
E-cadherin signaling in keratinocytes
Nongenotropic Androgen signaling
Internalization of ErbB1
CXCR3-mediated signaling events
Signaling events mediated by VEGFR1 and VEGFR2
Syndecan-2-mediated signaling events
Class I PI3K signaling events mediated by Akt
Syndecan-3-mediated signaling events
Trk receptor signaling mediated by PI3K and PLC-gamma
EPHA2 forward signaling
Alpha-synuclein signaling
FGF signaling pathway
Alpha4 beta1 integrin signaling events
Signaling events mediated by focal adhesion kinase
Reactome GPVI-mediated activation cascade
PIP3 activates AKT signaling
Regulation of KIT signaling
Phosphorylation of CD3 and TCR zeta chains
Translocation of ZAP-70 to Immunological synapse
Generation of second messenger molecules
PECAM1 interactions
Constitutive Signaling by Aberrant PI3K in Cancer
DAP12 signaling
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
CTLA4 inhibitory signaling
PD-1 signaling
Interleukin-2 signaling
WikiPathways Notch Signaling Pathway
Interferon type I signaling pathways
IL-2 Signaling Pathway
Inflammatory Response Pathway
Signaling by SCF-KIT
DAP12 interactions
Host Interactions of HIV factors
PIP3 activates AKT signaling
T-Cell Receptor and Co-stimulatory Signaling
B Cell Receptor Signaling Pathway
TSLP Signaling Pathway
TCR signaling
Costimulation by the CD28 familyWP673:ErbB Signaling Pathway
Senescence and Autophagy in Cancer
EPO Receptor Signaling
EGF/EGFR Signaling Pathway
TGF beta Signaling Pathway
Signaling of Hepatocyte Growth Factor Receptor
Kit receptor signaling pathway
Pregnane X Receptor pathway
Aryl Hydrocarbon Receptor Pathway
IL-3 Signaling Pathway
Nanoparticle-mediated activation of receptor signaling
Polycystic Kidney Disease Pathway
Alpha 6 Beta 4 signaling pathway
BDNF signaling pathway
Integrated Pancreatic Cancer Pathway
Oncostatin M Signaling Pathway
Interleukin-11 Signaling Pathway
AGE/RAGE pathway
Signaling Pathways in Glioblastoma
Arylhydrocarbon receptor (AhR) signaling pathway
Regulation of Microtubule Cytoskeleton
FSH signaling pathway
Leptin signaling pathway
RANKL/RANK Signaling Pathway
Integrin-mediated Cell Adhesion
Angiogenesis
Androgen receptor signaling pathway
References
Ref 534651J Med Chem. 1998 Jun 18;41(13):2252-60.Discovery of a novel series of potent and selective substrate-based inhibitors of p60c-src protein tyrosine kinase: conformational and topographical constraintsin peptide design.
Ref 534651J Med Chem. 1998 Jun 18;41(13):2252-60.Discovery of a novel series of potent and selective substrate-based inhibitors of p60c-src protein tyrosine kinase: conformational and topographical constraintsin peptide design.

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