Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Q0UQ
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| Former ID |
DNC012730
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| Drug Name |
H-D-Tca-c[Cys-Tyr-D-Trp-Arg-Thr-Pen]-Thr-NH2
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C47H63N13O11S3
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| Canonical SMILES |
CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C5=CSCC=N5)(C)C)C(=O)NC(C(C)O)C(=O)N)O
|
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| InChI |
1S/C47H63N13O11S3/c1-23(61)35(38(48)64)58-45(71)37-47(3,4)74-73-22-34(57-42(68)33-21-72-17-16-51-33)43(69)55-31(18-25-11-13-27(63)14-12-25)40(66)56-32(19-26-20-53-29-9-6-5-8-28(26)29)41(67)54-30(10-7-15-52-46(49)50)39(65)59-36(24(2)62)44(70)60-37/h5-6,8-9,11-14,16,20-21,23-24,30-32,34-37,53,61-63H,7,10,15,17-19,22H2,1-4H3,(H2,48,64)(H,54,67)(H,55,69)(H,56,66)(H,57,68)(H,58,71)(H,59,65)(H,60,70)(H4,49,50,52)/t23-,24-,30+,31+,32+,34+,35+,36-,37+/m1/s1
|
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| InChIKey |
AVXONNNWRZHIKA-HVLWERHHSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor delta (OPRD1) | Target Info | Inhibitor | [1] |
| Opioid receptor mu (MOP) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | cGMP-PKG signaling pathway | |||
| Sphingolipid signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Estrogen signaling pathway | ||||
| Morphine addiction | ||||
| 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 pathway | ||||
| Pathway Interaction Database | IL4-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| TCR Signaling Pathway | ||||
| Opioid Signalling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Opiate aromatic pharmacophore structure-activity relationships in CTAP analogues determined by topographical bias, two-dimensional NMR, and biologi... J Med Chem. 2000 Feb 24;43(4):569-80. | |||
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