EcoDrugPlus


Synonyms	Ariza BMY-13805 Gepirone ORG-13011 Variza
Status
Molecule Category	Free-form
ATC	N06AX19
UNII	JW5Y7B8Z18
EPA CompTox	DTXSID90232813


InChI Key	QOIGKGMMAGJZNZ-UHFFFAOYSA-N
Smiles	CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1
InChI	InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3

Property Name	Value
Molecular Formula	C19H29N5O2
Molecular Weight	359.47
AlogP	1.55
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	69.64
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	26.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	-	-	58	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	288	114	79.43	13-70	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	288	-	-	13-58	-

Resources	Reference
ChEBI	135990
ChEMBL	CHEMBL284092
DrugBank	DB12184
DrugCentral	4562
FDA SRS	JW5Y7B8Z18
PubChem	55191
SureChEMBL	SCHEMBL79040
ZINC	ZINC000002021499

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

GEPIRONE

Structure

Physicochemical Descriptors

Pharmacology

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