Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y8SK
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| Former ID |
DNC008507
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| Drug Name |
DYNORPHIN A
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C99H155N31O23
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC<br />(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC<br />(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
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| InChI |
1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1
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| InChIKey |
CZWWJMLXKYUVTQ-VCZUSBFASA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Mu-type opioid receptor | Target Info | Inhibitor | [529478] | |
| Delta-type opioid receptor | Target Info | Inhibitor | [533889] | ||
| Kappa-type opioid receptor | Target Info | Inhibitor | [529478] | ||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | ||||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||||
| Enkephalin releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Enkephalin release | |||||
| Opioid proenkephalin pathway | |||||
| Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Opioid prodynorphin pathway | |||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| References | |||||
| Ref 538995 | (http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1620). | ||||
| Ref 546012 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005877) | ||||
| Ref 529478 | Bioorg Med Chem Lett. 2008 Jun 15;18(12):3667-71. Epub 2007 Dec 4.Use of receptor chimeras to identify small molecules with high affinity for the dynorphin A binding domain of the kappa opioid receptor. | ||||
| Ref 533889 | J Med Chem. 1993 Mar 19;36(6):750-7.Design and synthesis of highly potent and selective cyclic dynorphin A analogs. 2. New analogs. | ||||
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