Drug General Information
Drug ID
DXLM2G
Drug Name
3-{2-[2-Benzyl-4-(4-methylamino-piperidin-1-yl)-4-oxo-butyrylamino]-3-methylsulfanyl-propionylamino}-4-cyclohexyl-2-hydroxy-butyric acid isopropyl ester (CP-108,671)
Synonyms
CP-108671; CHEMBL333564
Indication Discovery agent Investigative [1587926]
Formula
C34H54N4O6S
Canonical SMILES
CNC1CCN(CC1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C(=O)OC(C)C
InChI
InChI=1S/C34H54N4O6S/c1-23(2)44-34(43)31(40)28(20-25-13-9-6-10-14-25)36-33(42)29(22-45-4)37-32(41)26(19-24-11-7-5-8-12-24)21-30(39)38-17-15-27(35-3)16-18-38/h5,7-8,11-12,23,25-29,31,35,40H,6,9-10,13-22H2,1-4H3,(H,36,42)(H,37,41)/t26-,28+,29+,31-/m1/s1
InChIKey
QGEPSKOURWVCMJ-BTURHGITSA-N
Target and Pathway
Target(s) Renin, renal Target Info [1587926]
Cathepsin D Target Info [1587926]
BioCyc Pathway Thyroid hormone biosynthesis
KEGG Pathway Renin-angiotensin systemhsa04071:Sphingolipid signaling pathway
Lysosome
Tuberculosis
NetPath Pathway IL2 Signaling Pathway
Pathway Interaction Database LKB1 signaling events
Ceramide signaling pathway
Direct p53 effectors
Validated nuclear estrogen receptor alpha network
PathWhiz Pathway Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to AngiotensinsR-HSA-1442490:Collagen degradation
Metabolism of Angiotensinogen to Angiotensins
MHC class II antigen presentation
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
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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