Drug Information
Drug General Information | |||||
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Drug ID |
D0LX5D
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Former ID |
DNC006032
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Drug Name |
BIPHALIN
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Drug Type |
Small molecular drug
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Indication | Discovery agent | Terminated | [546535] | ||
Structure |
Download2D MOL |
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Formula |
C46H56N10O10
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Canonical SMILES |
CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NNC(=O)C(CC2=CC=CC=<br />C2)NC(=O)CNC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N)NC(=O)C(C<br />C4=CC=C(C=C4)O)N
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InChI |
1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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InChIKey |
DESSEGDLRYOPTJ-VRANXALZSA-N
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PubChem Compound ID | |||||
Target and Pathway | |||||
Target(s) | Mu-type opioid receptor | Target Info | Inhibitor | [531023] | |
Delta-type opioid receptor | Target Info | Inhibitor | [530392] | ||
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 pathway | |||||
Pathway Interaction Database | IL4-mediated signaling events | ||||
References | |||||
Ref 530392 | Bioorg Med Chem. 2009 Oct 15;17(20):7337-43. Epub 2009 Aug 21.The biological activity and metabolic stability of peptidic bifunctional compounds that are opioid receptor agonists and neurokinin-1 receptor antagonists with a cystine moiety. | ||||
Ref 531023 | J Med Chem. 2010 Aug 12;53(15):5491-501.Biological and conformational evaluation of bifunctional compounds for opioid receptor agonists and neurokinin 1 receptor antagonists possessing two penicillamines. |
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