Drug Information

Drug General Information
Drug ID
D0TT5V
Former ID
DNC013085
Drug Name
MM3B6S
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528255]
Structure
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2D MOL

3D MOL
Formula
C25H25NO7S
Canonical SMILES
C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC(=O)C6=CC=CC=C6)OC3C(<br />C=C4)OS(=O)(=O)[O-])C
InChI
1S/C25H25NO7S/c1-26(2)13-12-25-17-9-11-20(33-34(28,29)30)23(25)32-22-19(10-8-16(21(22)25)14-18(17)26)31-24(27)15-6-4-3-5-7-15/h3-11,17-18,20,23H,12-14H2,1-2H3/t17-,18+,20-,23-,25-/m0/s1
InChIKey
RMPWVEGPFQZBPZ-SDSLYQAOSA-N
PubChem Compound ID
44414811
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [528255]
KEGG 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
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
Ref 528255Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners.
Ref 528255Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners.

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