Drug Information

Drug General Information
Drug ID
D08ZBV
Former ID
DNC003719
Drug Name
L-732138
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546118]
Structure
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2D MOL

3D MOL
Formula
C22H18F6N2O3
Canonical SMILES
CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F<br />)F)C(F)(F)F
InChI
1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1
InChIKey
BYYQYXVAWXAYQC-IBGZPJMESA-N
PubChem Compound ID
132837
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [530392]
NK-2 receptor Target Info Inhibitor [531023]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measleshsa04020:Calcium signaling pathway
PANTHER Pathway CCKR signaling map ST
Reactome G alpha (q) signalling eventsR-HSA-416476:G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP2664:Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
References
Ref 546118Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006439)
Ref 530392Bioorg 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 531023J 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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