Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0A9EA
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| Former ID |
DNC012531
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| Drug Name |
PD-138917
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| Synonyms |
PD-138917; CHEMBL171806; BDBM50281733; N-{(S)-2-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl}-succinamic acid; 4-[(S)-2-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoylamino]-3-phenylpropylamino]-4-oxobutyric acid
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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 |
C36H44N4O6
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| Canonical SMILES |
CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=CC=C3)CNC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
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| InChI |
1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23?,24?,25?,26?,28-,33?,36-/m0/s1
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| InChIKey |
HAQJDPAHYIINDW-HXWIKMKJSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gastrin/cholecystokinin type B receptor (CCKBR) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Gastric acid secretion | ||||
| Panther Pathway | CCKR signaling map ST | |||
| Pathwhiz Pathway | Gastric Acid Production | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Secretion of Hydrochloric Acid in Parietal Cells | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Selective ligands for cholecystokinin receptor subtypes CCK-A and CCK-B within a single structural class, Bioorg. Med. Chem. Lett. 3(5):881-884 (1993). | |||
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