PIRIBEDIL


Synonyms	ET-495 EU-4200 Piribedil Trivastal Trivastal lp
Status
Molecule Category	UNKNOWN
ATC	N04BC08
UNII	DO22K1PRDJ
EPA CompTox	DTXSID9045188


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

Structure


InChI Key	OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Smiles	c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1
InChI	InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H18N4O2
Molecular Weight	298.35
AlogP	1.53
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	3.0
Polar Surface Area	50.72
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	22.0

Cross References

Resources	Reference
ChEBI	92833
ChEMBL	CHEMBL1371770
DrugBank	DB12478
DrugCentral	2202
FDA SRS	DO22K1PRDJ
Guide to Pharmacology	49
PubChem	4850
SureChEMBL	SCHEMBL150101
ZINC	ZINC000019537374

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).