Drug General Information
Drug ID
D0Y7PY
Former ID
DNC006409
Drug Name
Ac-Bth-Thr(PO3H2)-Pip-Nal-Gln-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528104]
Structure
Download
2D MOL

3D MOL

Formula
C41H50N7O11PS
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=CSC5=CC=CC=C54)NC(=O)C)OP(=<br />O)(O)O
InChI
1S/C41H50N7O11PS/c1-23(59-60(56,57)58)36(47-39(53)32(44-24(2)49)21-28-22-61-34-13-6-5-11-29(28)34)41(55)48-18-8-7-12-33(48)40(54)46-31(38(52)45-30(37(43)51)16-17-35(42)50)20-25-14-15-26-9-3-4-10-27(26)19-25/h3-6,9-11,13-15,19,22-23,30-33,36H,7-8,12,16-18,20-21H2,1-2H3,(H2,42,50)(H2,43,51)(H,44,49)(H,45,52)(H,46,54)(H,47,53)(H2,56,57,58)/t23-,30+,31+,32+,33-,36+/m1/s1
InChIKey
WPZGCIDLTHYADD-YIVWXNOFSA-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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