EcoDrugPlus


Synonyms	Vabicaserin
Status
Molecule Category	Free-form
UNII	WD9550HPNL
EPA CompTox	DTXSID601336565

Synonyms

Vabicaserin

Status

Molecule Category

Free-form

UNII

WD9550HPNL

EPA CompTox

DTXSID601336565


InChI Key	NPTIPEQJIDTVKR-STQMWFEESA-N
Smiles	c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2
InChI	InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1

InChI Key

NPTIPEQJIDTVKR-STQMWFEESA-N

Smiles

c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2

InChI

InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1

Property Name	Value
Molecular Formula	C15H20N2
Molecular Weight	228.34
AlogP	2.49
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	15.27
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H20N2

Molecular Weight

228.34

AlogP

2.49

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

15.27

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

17.0

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 Serotonin receptor	8-8	-	-	3	-

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 Serotonin receptor

8-8

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	8-8	-	-	3	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

8-8

Resources	Reference
CAS NUMBER	887258-95-9
ChEMBL	CHEMBL2110670
DrugBank	DB12071
FDA SRS	WD9550HPNL
PubChem	11521822
SureChEMBL	SCHEMBL2980790
ZINC	ZINC000030691381

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

VABICASERIN

Structure

Physicochemical Descriptors

Pharmacology

Cross References