Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0A1DE
|
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| Former ID |
DNC005872
|
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| Drug Name |
MDL-28163
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D 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
|
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| 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
|
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| InChIKey |
DIPBPGRFGZKMEF-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Substance-P receptor | Target Info | Inhibitor | [1] | |
| Histamine H1 receptor | Target Info | Inhibitor | [1] | ||
| 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 1 | J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm. | ||||
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