Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0A1DE
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| Former ID |
DNC005872
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| Drug Name |
MDL-28163
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| Synonyms |
MDL-28163; CHEMBL95051; SCHEMBL9196398; DIPBPGRFGZKMEF-UHFFFAOYSA-N; BDBM50175511; 1-(4-Fluorobenzyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinylcarbonyl]-1H-benzimidazole; [1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C29H30FN3O2
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| Canonical SMILES |
COC1=CC=C(C=C1)CCN2CCC(CC2)C(=O)C3=NC4=CC=CC=C4N3CC5=CC=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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| CAS Number |
CAS 124461-07-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H1 receptor (H1R) | Target Info | Inhibitor | [1] |
| Substance-P receptor (TACR1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Measles | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Panther Pathway | CCKR signaling map ST | |||
| Histamine H1 receptor mediated signaling pathway | ||||
| Reactome | G alpha (q) signalling events | |||
| Histamine receptors | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Spinal Cord Injury | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Monoamine GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| IL-4 Signaling Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43. | |||
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