Details of the Drug

General Information of Drug (ID: DM1ZGUX)

Drug Name
CPHPC
Synonyms Amyloid beta inhibitor; SAP binding inhibitor, Roche; Serum amyloid P binding inhibitor, Roche; Ro-63-8695
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.37
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H24N2O6
IUPAC Name
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
Canonical SMILES
C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=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
InChIKey
HZLAWYIBLZNRFZ-VXGBXAGGSA-N
Cross-matching ID
PubChem CID
125516
CAS Number
224624-80-0
DrugBank ID
DB13087
TTD ID
D05FBZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serum amyloid P-component (APCS) TTB7VAT SAMP_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serum amyloid P-component (APCS) DTT APCS 3.02E-01 -0.06 -0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8256).
2 Interaction of serum amyloid P component with hexanoyl bis(D-proline) (CPHPC).Acta Crystallogr D Biol Crystallogr.2014 Aug;70(Pt 8):2232-40.