Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Y7PY
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| Former ID |
DNC006409
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| Drug Name |
Ac-Bth-Thr(PO3H2)-Pip-Nal-Gln-NH2
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| Synonyms |
CHEMBL380685; Ac-Bth-Thr(PO3H2)-Pip-Nal-Gln-NH2
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C41H50N7O11PS
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| Canonical SMILES |
CC(C(C(=O)N1CCCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CC4=CSC5=CC=CC=C54)NC(=O)C)OP(=O)(O)O
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| 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
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| InChIKey |
WPZGCIDLTHYADD-YIVWXNOFSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Rotamase Pin1 (PIN1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Nanomolar inhibitors of the peptidyl prolyl cis/trans isomerase Pin1 from combinatorial peptide libraries. J Med Chem. 2006 Apr 6;49(7):2147-50. | |||
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