Drug General Information
Drug ID
D04NYQ
Former ID
DNC008021
Drug Name
N3-GHQMFYYPra-NH2
Indication Discovery agent Investigative [529026]
Structure
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2D MOL

3D MOL

Formula
C50H61N15O11S
Canonical SMILES
CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O<br />)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC#C)C(=O)N)NC(=O)C(CCC(=O)<br />N)NC(=O)C(CC4=CN=CN4)NC(=O)C(N)N=[N+]=[N-]
InChI
1S/C50H61N15O11S/c1-3-7-34(43(53)69)57-46(72)38(23-29-10-14-32(66)15-11-29)61-48(74)39(24-30-12-16-33(67)17-13-30)62-47(73)37(22-28-8-5-4-6-9-28)60-45(71)36(20-21-77-2)59-44(70)35(18-19-41(51)68)58-49(75)40(25-31-26-55-27-56-31)63-50(76)42(52)64-65-54/h1,4-6,8-17,26-27,34-40,42,66-67H,7,18-25,52H2,2H3,(H2,51,68)(H2,53,69)(H,55,56)(H,57,72)(H,58,75)(H,59,70)(H,60,71)(H,61,74)(H,62,73)(H,63,76)/t34?,35-,36-,37-,38-,39-,40-,42?/m0/s1
InChIKey
WFAPVEQHLBEDFX-OPPKEQMHSA-N
PubChem Compound ID
Target and Pathway
Target(s) mRNA of VEGFR1 Target Info Inhibitor [529026]
KEGG Pathway Ras signaling pathway
Rap1 signaling pathway
Cytokine-cytokine receptor interaction
HIF-1 signaling pathway
Endocytosis
PI3K-Akt signaling pathway
Focal adhesion
Transcriptional misregulation in cancer
Rheumatoid arthritis
Pathway Interaction Database Glypican 1 network
HIF-2-alpha transcription factor network
S1P3 pathway
VEGF and VEGFR signaling network
VEGFR1 specific signals
Signaling events mediated by VEGFR1 and VEGFR2
Reactome Neurophilin interactions with VEGF and VEGFR
VEGF binds to VEGFR leading to receptor dimerization
WikiPathways Focal Adhesion
Signaling by VEGF
Angiogenesis
References
Ref 529026Bioorg Med Chem Lett. 2007 Oct 15;17(20):5590-4. Epub 2007 Aug 22.On-resin cyclization of peptide ligands of the Vascular Endothelial Growth Factor Receptor 1 by copper(I)-catalyzed 1,3-dipolar azide-alkyne cycloaddition.
Ref 529026Bioorg Med Chem Lett. 2007 Oct 15;17(20):5590-4. Epub 2007 Aug 22.On-resin cyclization of peptide ligands of the Vascular Endothelial Growth Factor Receptor 1 by copper(I)-catalyzed 1,3-dipolar azide-alkyne cycloaddition.

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