EcoDrugPlus


Trade Names	ASENAPINE SECUADO
Synonyms	Asenapine Secuado Sycrest
Status
Molecule Category	Free-form
ATC	N05AH05
UNII	JKZ19V908O

Trade Names

ASENAPINE

SECUADO

Synonyms

Asenapine

Secuado

Sycrest

Status

Molecule Category

Free-form

ATC

N05AH05

UNII

JKZ19V908O


InChI Key	VSWBSWWIRNCQIJ-UHFFFAOYSA-N
Smiles	CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
InChI	InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3

InChI Key

VSWBSWWIRNCQIJ-UHFFFAOYSA-N

Smiles

CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1

InChI

InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3

Property Name	Value
Molecular Formula	C17H16ClNO
Molecular Weight	285.77
AlogP	4.26
Hydrogen Bond Acceptor	2.0
Polar Surface Area	12.47
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H16ClNO

Molecular Weight

285.77

AlogP

4.26

Hydrogen Bond Acceptor

2.0

Polar Surface Area

12.47

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

20.0

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	-	-	-	0.25-2.5	-

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

0.25-2.5

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	0.25-2.5	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

0.25-2.5

Resources	Reference
ChEBI	71255
ChEMBL	CHEMBL3187365
DrugCentral	4115
FDA SRS	JKZ19V908O
Guide to Pharmacology	22
PubChem	163091
SureChEMBL	SCHEMBL2221502

Resources

Reference

ChEBI

ChEMBL

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

163091

SureChEMBL

SCHEMBL2221502

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

ASENAPINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References