MIRIDESAP

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Search structure


Synonyms	CPHPC Cphpc GSK-2315698 GSK2315698 Gsk2315698 Miridesap RO-638695 Ro 63-8695
Status
Molecule Category	UNKNOWN
UNII	WO97N24A47
EPA CompTox	DTXSID00176996


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	HZLAWYIBLZNRFZ-VXGBXAGGSA-N
Smiles	O=C(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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H24N2O6
Molecular Weight	340.38
AlogP	0.7
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	115.22
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	24.0

Bioactivity

Mechanism of Action	Action	Reference
Serum amyloid P-component cross-linking agent	CROSS-LINKING AGENT	PubMed


Protein: Serum amyloid P-component Description: Serum amyloid P-component Organism : Homo sapiens P02743 ENSG00000132703

Assay Description	Organism	Bioactivity	Reference
Inhibitory concentration in serum amyloid component P (SAP)	None	900.0 nM
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized Neisseria meningitidis at 2 mM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	100.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized Neisseria meningitidis at 200 uM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	79.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized Neisseria meningitidis at 20 uM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	74.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized Neisseria meningitidis at 2 uM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	61.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized Neisseria meningitidis at 200 nM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	5.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized chicken erythrocyte native long chromatin at 2 mM incubated for 2 hrs by gamma counting relative to control	Homo sapiens	93.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized chicken erythrocyte native long chromatin at 200 uM incubated for 2 hrs by gamma counting relative to control	Homo sapiens	87.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized chicken erythrocyte native long chromatin at 20 uM incubated for 2 hrs by gamma counting relative to control	Homo sapiens	69.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized chicken erythrocyte native long chromatin at 2 uM incubated for 2 hrs by gamma counting relative to control	Homo sapiens	29.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized chicken erythrocyte native long chromatin at 200 nM incubated for 2 hrs by gamma counting relative to control	Homo sapiens	1.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized influenza virus A/Shanghai/24/90 at 2 mM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	98.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized influenza virus A/Shanghai/24/90 at 200 uM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	96.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized influenza virus A/Shanghai/24/90 at 20 uM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	90.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized influenza virus A/Shanghai/24/90 at 2 uM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	81.0 %
Inhibition of calcium dependent [125I]serum amyloid P-component (unknown origin) binding to immobilized influenza virus A/Shanghai/24/90 at 200 nM incubated for 2 hrs by fluorescence/electron microscopy relative to control	Homo sapiens	36.0 %
Reduction of serum amyloid P-component in amyloidosis patient at 10 mg, sc bid for 3 months	Homo sapiens	95.0 %
Reduction of serum amyloid P-component in amyloidosis patient at 15 mg, sc bid for 2 months	Homo sapiens	95.0 %

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL25263
DrugBank	DB13087
FDA SRS	WO97N24A47
Guide to Pharmacology	8256
PDB	GHE
PubChem	125516
SureChEMBL	SCHEMBL1537496
ZINC	ZINC000003972138

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).