Drug Information

Drug General Information
Drug ID
D09DVB
Former ID
DNC003927
Drug Name
Y-c[D-Pen-(2R,3R)-2-Me-(2')Nal-GSFC]KR-NH2
Indication Discovery agent Investigative [534651]
Structure
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2D MOL

3D MOL
Formula
C57H78N14O11S2
Canonical SMILES
CC(C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSC(C(C(=O)N1)NC(=<br />O)C(CC2=CC=C(C=C2)O)N)(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCN=C<br />(N)N)C(=O)N)CC3=CC=CC=C3)CO)C4=CC5=CC=CC=C5C=C4
InChI
1S/C57H78N14O11S2/c1-32(36-21-20-35-14-7-8-15-37(35)28-36)46-54(81)64-29-45(74)65-43(30-72)52(79)68-42(27-33-12-5-4-6-13-33)51(78)69-44(53(80)67-41(16-9-10-24-58)50(77)66-40(48(60)75)17-11-25-63-56(61)62)31-83-84-57(2,3)47(55(82)70-46)71-49(76)39(59)26-34-18-22-38(73)23-19-34/h4-8,12-15,18-23,28,32,39-44,46-47,72-73H,9-11,16-17,24-27,29-31,58-59H2,1-3H3,(H2,60,75)(H,64,81)(H,65,74)(H,66,77)(H,67,80)(H,68,79)(H,69,78)(H,70,82)(H,71,76)(H4,61,62,63)/t32-,39-,40-,41-,42+,43-,44+,46+,47-/m0/s1
InChIKey
HWTDVIKHJPOWJP-YOGAMANKSA-N
PubChem Compound ID
44312287
Target and Pathway
Target(s) Proto-oncogene tyrosine-protein kinase SRC Target Info Inhibitor [534651]
KEGG Pathway 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 IL2 Signaling Pathway
PANTHER Pathway Angiogenesis
Cadherin signaling pathway
Integrin signalling pathway
Parkinson disease
CCKR signaling map ST
Pathway Interaction Database Endothelins
Signaling events mediated by PRL
LPA receptor mediated events
Atypical NF-kappaB pathway
Glypican 1 network
Plasma membrane estrogen receptor signaling
Signaling events mediated by Hepatocyte Growth Factor Receptor (c-Met)
Signaling events mediated by PTP1B
S1P3 pathway
EPHB forward signaling
Nectin adhesion pathway
Regulation of p38-alpha and p38-beta
CDC42 signaling events
Signaling events regulated by Ret tyrosine kinase
Arf6 signaling events
Signaling events mediated by TCPTP
FAS (CD95) signaling pathway
Thromboxane A2 receptor signaling
Netrin-mediated signaling events
Alpha9 beta1 integrin signaling events
CXCR4-mediated signaling events
EGF receptor (ErbB1) signaling pathway
Class I PI3K signaling events
Posttranslational regulation of adherens junction stability and dissassembly
Regulation of Androgen receptor activity
E-cadherin signaling in the nascent adherens junction
amb2 Integrin signaling
Integrins in angiogenesis
ErbB1 downstream signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
ErbB2/ErbB3 signaling events
EPHA forward signaling
E-cadherin signaling in keratinocytes
PDGFR-beta signaling pathway
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
Ephrin B reverse signaling
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
WikiPathways ErbB Signaling Pathway
Senescence and Autophagy in Cancer
Notch Signaling Pathway
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
TSLP Signaling Pathway
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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