EcoDrugPlus


Synonyms	LU-31-130 Lu 31-130 Zicronapine
Status
Molecule Category	Free-form
UNII	QZV11V7G6A
EPA CompTox	DTXSID30168849

Synonyms

LU-31-130

Lu 31-130

Zicronapine

Status

Molecule Category

Free-form

UNII

QZV11V7G6A

EPA CompTox

DTXSID30168849


InChI Key	BYPMJBXPNZMNQD-PZJWPPBQSA-N
Smiles	CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C
InChI	InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1

InChI Key

BYPMJBXPNZMNQD-PZJWPPBQSA-N

Smiles

CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C

InChI

InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1

Property Name	Value
Molecular Formula	C22H27ClN2
Molecular Weight	354.93
AlogP	4.94
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	6.48
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H27ClN2

Molecular Weight

354.93

AlogP

4.94

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

6.48

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

25.0

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	-	-	-	0.13-28	-

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

0.13-28

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	0.13-28	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

0.13-28

Resources	Reference
ChEMBL	CHEMBL3039528
DrugBank	DB12188
FDA SRS	QZV11V7G6A
PubChem	11465618
SureChEMBL	SCHEMBL904402

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

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

ZICRONAPINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References