Drug General Information
Drug ID
D0W4CN
Former ID
DNC006411
Drug Name
Ac-Phe-D-Thr(PO3H2)-Pip-Nal-Gln-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528104]
Structure
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2D MOL

3D MOL

Formula
C39H50N7O11P
Canonical SMILES
CC(C(C(=O)N1CCCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(<br />CCC(=O)N)C(=O)N)NC(=O)C(CC4=CC=CC=C4)NC(=O)C)OP(=O)(O)O
InChI
1S/C39H50N7O11P/c1-23(57-58(54,55)56)34(45-37(51)30(42-24(2)47)21-25-10-4-3-5-11-25)39(53)46-19-9-8-14-32(46)38(52)44-31(36(50)43-29(35(41)49)17-18-33(40)48)22-26-15-16-27-12-6-7-13-28(27)20-26/h3-7,10-13,15-16,20,23,29-32,34H,8-9,14,17-19,21-22H2,1-2H3,(H2,40,48)(H2,41,49)(H,42,47)(H,43,50)(H,44,52)(H,45,51)(H2,54,55,56)/t23-,29-,30-,31-,32+,34+/m0/s1
InChIKey
KZSGJDBAWAUUMC-DHQPFQMDSA-N
PubChem Compound ID
Target and Pathway
Target(s) Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Target Info Inhibitor [528104]
KEGG Pathway RIG-I-like receptor signaling pathway
Pathway Interaction Database p73 transcription factor network
C-MYC pathway
PDGFR-beta signaling pathway
p53 pathway
Reactome ISG15 antiviral mechanism
Negative regulators of RIG-I/MDA5 signaling
WikiPathways ISG15 antiviral mechanism
RIG-I/MDA5 mediated induction of IFN-alpha/beta pathways
References
Ref 528104J Med Chem. 2006 Apr 6;49(7):2147-50.Nanomolar inhibitors of the peptidyl prolyl cis/trans isomerase Pin1 from combinatorial peptide libraries.
Ref 528104J Med Chem. 2006 Apr 6;49(7):2147-50.Nanomolar inhibitors of the peptidyl prolyl cis/trans isomerase Pin1 from combinatorial peptide libraries.

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