CPHPC   

GtoPdb Ligand ID: 8256

Synonyms: compound 52 [PMID 14998318] [5] | GSK2315698 | Ro 63-8695 [5]
Compound class: Synthetic organic
Comment: CPHPC is reported as a chemical which depletes the glycoprotein serum amyloid P component (SAP) in mice [1] and humans [2]. Intellectual property for the use of CPHPC has been licensed to GlaxoSmithKline who have coded the compound GSK2315698. Structurally, CPHPC is a simplified form of a captopril dimer [5].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 115.22
Molecular weight 340.16
XLogP -0.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCCC1C(=O)O
Isomeric SMILES OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O
InChI InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1
InChI Key HZLAWYIBLZNRFZ-VXGBXAGGSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
Synonyms
compound 52 [PMID 14998318] [5] | GSK2315698 | Ro 63-8695 [5]
Database Links
CAS Registry No. 224624-80-0
ChEMBL Ligand CHEMBL25263
GtoPdb PubChem SID 249565936
PubChem CID 125516
RCSB PDB Ligand GHE
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SynPHARM 81894 (in complex with amyloid P component, serum)
Wikipedia CPHPC