Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0W4CN
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| Former ID |
DNC006411
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| Drug Name |
Ac-Phe-D-Thr(PO3H2)-Pip-Nal-Gln-NH2
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| Synonyms |
CHEMBL436759; Ac-Phe-D-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 |
C39H50N7O11P
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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=CC=CC=C4)NC(=O)C)OP(=O)(O)O
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| 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
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| InChIKey |
KZSGJDBAWAUUMC-DHQPFQMDSA-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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