Drug General Information
Drug ID
DXL7NM
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(2-chloro-phenyl)-thioureido]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
Synonyms
CHEMBL3142702
Indication Discovery agent Investigative [1587926]
Formula
C42H51ClN8O8S
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC\\N=C(/S)\\Nc3ccccc3Cl)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-29-17-9-7-15-27(26)29)38(56)47-31(19-11-12-20-45-40(60)50-30-18-10-8-16-28(30)43)37(55)49-34(23-35(52)53)39(57)48-32(36(44)54)21-25-13-5-4-6-14-25/h4-10,13-18,24,31-34,46H,11-12,19-23H2,1-3H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t31-,32-,33-,34-/m0/s1
InChIKey
OKEGIDZDURUXBC-CUPIEXAXSA-N
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info [1587926]
Cholecystokinin receptor type A Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic 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 MAPKR-HSA-375276:Peptide ligand-binding receptors
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, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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