Drug Information

Drug General Information
Drug ID
D0A1DE
Former ID
DNC005872
Drug Name
MDL-28163
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527799]
Structure
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2D MOL

3D MOL
Formula
C29H30FN3O2
Canonical SMILES
COC1=CC=C(C=C1)CCN2CCC(CC2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC<br />=C(C=C5)F
InChI
1S/C29H30FN3O2/c1-35-25-12-8-21(9-13-25)14-17-32-18-15-23(16-19-32)28(34)29-31-26-4-2-3-5-27(26)33(29)20-22-6-10-24(30)11-7-22/h2-13,23H,14-20H2,1H3
InChIKey
DIPBPGRFGZKMEF-UHFFFAOYSA-N
PubChem Compound ID
10917690
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [527799]
Histamine H1 receptor Target Info Inhibitor [527799]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measleshsa04020:Calcium signaling pathway
Inflammatory mediator regulation of TRP channels
PANTHER Pathway CCKR signaling map STP04385:Histamine H1 receptor mediated signaling pathway
Reactome G alpha (q) signalling eventsR-HSA-390650:Histamine receptors
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 signalingWP58:Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
IL-4 Signaling Pathway
GPCR downstream signaling
References
Ref 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.
Ref 527799J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm.

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