DUTOGLIPTIN


Synonyms	Dutogliptin PHX1149 Phx1149
Status
Molecule Category	Free-form
UNII	38EAO245ZX


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

Structure


InChI Key	DVJAMEIQRSHVKC-BDAKNGLRSA-N
Smiles	O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O
InChI	InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H20BN3O3
Molecular Weight	241.1
AlogP	None
Hydrogen Bond Acceptor	None
Hydrogen Bond Donor	None
Number of Rotational Bond	None
Polar Surface Area	None
Molecular species	None
Aromatic Rings	None
Heavy Atoms	None

Bioactivity

Mechanism of Action	Action	Reference
Dipeptidyl peptidase IV inhibitor	INHIBITOR	PubMed


Protein: Dipeptidyl peptidase IV Description: Dipeptidyl peptidase 4 Organism : Homo sapiens P27487 ENSG00000197635

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily	-	23	-	-	-

Assay Description	Organism	Bioactivity
Inhibition of DPP9 (unknown origin)	Homo sapiens	663.0 nM
Inhibition of DPP2 (unknown origin)	Homo sapiens	400.0 nM
Inhibition of DPP4 (unknown origin)	Homo sapiens	23.0 nM

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL4296719
DrugBank	DB11723
FDA SRS	38EAO245ZX
PubChem	11253490
SureChEMBL	SCHEMBL164106
ZINC	ZINC000169746730

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).

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).