Drug Information
Drug General Information | Top | |||
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Drug ID |
D02RYZ
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Former ID |
DNC006839
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Drug Name |
MCL-450
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Synonyms |
CHEMBL373984; MCL-450; BDBM50194274
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C45H56N4O5
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Canonical SMILES |
CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC(=O)OC4=CC5=C(CC6C7C5(CCCC7)CCN6CC8CCC8)C=C4)N)C)O
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InChI |
1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1
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InChIKey |
FYEXOHKTNZXZQH-KKEISOQISA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Opioid receptor delta (OPRD1) | Target Info | Inhibitor | [1] |
Opioid receptor kappa (OPRK1) | Target Info | Inhibitor | [1] | |
Opioid receptor mu (MOP) | Target Info | Inhibitor | [1] | |
KEGG Pathway | Neuroactive ligand-receptor interaction | |||
Estrogen signaling pathway | ||||
Morphine addiction | ||||
cGMP-PKG signaling pathway | ||||
Sphingolipid signaling pathway | ||||
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 prodynorphin pathway | ||||
Opioid proenkephalin pathway | ||||
Opioid proopiomelanocortin pathway | ||||
Pathway Interaction Database | IL4-mediated signaling events | |||
Reactome | Peptide ligand-binding receptors | |||
G alpha (i) signalling events | ||||
WikiPathways | TCR Signaling Pathway | |||
GPCRs, Class A Rhodopsin-like | ||||
Peptide GPCRs | ||||
Opioid Signalling | ||||
GPCR ligand binding | ||||
GPCR downstream signaling |
References | Top | |||
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REF 1 | New opioid designed multiple ligand from Dmt-Tic and morphinan pharmacophores. J Med Chem. 2006 Sep 7;49(18):5640-3. |
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