EcoDrugPlus


Synonyms	Bavisant JNJ-31001074
Status
Molecule Category	Free-form
UNII	9827P7LFVH


InChI Key	BGBVSGSIXIIREO-UHFFFAOYSA-N
Smiles	O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1
InChI	InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2

Property Name	Value
Molecular Formula	C19H27N3O2
Molecular Weight	329.44
AlogP	1.44
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	36.02
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	24.0

Mechanism of Action	Action	Reference
Histamine H3 receptor antagonist	ANTAGONIST	PubMed

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 Histamine receptor	-	-	-	5.4	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	5.4	-

Resources	Reference
ChEMBL	CHEMBL2103862
DrugBank	DB12299
FDA SRS	9827P7LFVH
PubChem	16061509
SureChEMBL	SCHEMBL522603
ZINC	ZINC000034962220

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

BAVISANT

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References


Protein: Histamine H3 receptor Description: Histamine H3 receptor Organism : Homo sapiens Q9Y5N1 ENSG00000101180