Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0N8LP
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| Former ID |
DNC000310
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| Drug Name |
Beta-endorphin
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [540507] | ||
| Structure |
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Download2D MOL |
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| Formula |
C158H251N39O46S
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| Canonical SMILES |
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(<br />=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(C<br />CCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(C<br />C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)<br />C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C3CC<br />CN3C(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCC<br />CN)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC<br />SC)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)C(CC5=CC=C(<br />C=C5)O)N
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| InChI |
1S/C158H251N39O46S/c1-17-84(9)126(153(237)182-102(44-29-34-65-163)137(221)186-112(74-118(166)206)142(226)171-86(11)131(215)183-110(73-94-48-52-96(204)53-49-94)146(230)177-99(41-26-31-62-160)135(219)175-98(40-25-30-61-159)134(218)170-78-122(210)173-106(158(242)243)56-59-124(213)214)193-154(238)127(85(10)18-2)192-132(216)87(12)172-143(227)113(75-119(167)207)185-136(220)100(42-27-32-63-161)178-147(231)111(72-92-38-23-20-24-39-92)184-144(228)107(68-81(3)4)188-155(239)129(89(14)201)195-152(236)125(83(7)8)191-148(232)108(69-82(5)6)187-151(235)116-45-35-66-197(116)157(241)130(90(15)202)196-140(224)103(54-57-117(165)205)179-149(233)114(79-198)189-138(222)101(43-28-33-64-162)176-139(223)104(55-58-123(211)212)180-150(234)115(80-199)190-156(240)128(88(13)200)194-141(225)105(60-67-244-16)181-145(229)109(71-91-36-21-19-22-37-91)174-121(209)77-168-120(208)76-169-133(217)97(164)70-93-46-50-95(203)51-47-93/h19-24,36-39,46-53,81-90,97-116,125-130,198-204H,17-18,25-35,40-45,54-80,159-164H2,1-16H3,(H2,165,205)(H2,166,206)(H2,167,207)(H,168,208)(H,169,217)(H,170,218)(H,171,226)(H,172,227)(H,173,210)(H,174,209)(H,175,219)(H,176,223)(H,177,230)(H,178,231)(H,179,233)(H,180,234)(H,181,229)(H,182,237)(H,183,215)(H,184,228)(H,185,220)(H,186,221)(H,187,235)(H,188,239)(H,189,222)(H,190,240)(H,191,232)(H,192,216)(H,193,238)(H,194,225)(H,195,236)(H,196,224)(H,211,212)(H,213,214)(H,242,243)/t84-,85-,86-,87-,88+,89+,90+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-,130-/m0/s1
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| InChIKey |
JMHFFDIMOUKDCZ-NTXHZHDSSA-N
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| CAS Number |
CAS 204656-20-2
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Delta-type opioid receptor | Target Info | Agonist | [537660] | |
| Kappa-type opioid receptor | Target Info | Antagonist | [537931] | ||
| Mu-type opioid receptor | Target Info | Antagonist | [537931] | ||
| 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 release | |||||
| Opioid proenkephalin pathway | |||||
| Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| References | |||||
| Ref 537660 | Cross-linking of human [125I]beta-endorphin to opioid receptors in rat striatal membranes: biochemical evidence for the existence of a mu/delta opioid receptor complex. J Pharmacol Exp Ther. 1990 Apr;253(1):419-26. | ||||
| Ref 537931 | Beta-endorphin is a potent inhibitor of thymidine incorporation into DNA via mu- and kappa-opioid receptors in fetal rat brain cell aggregates in culture. J Neurochem. 1993 Feb;60(2):765-7. | ||||
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