EcoDrugPlus


Synonyms	Bunil FG 5111 FG-5111 Flubuperone Melperone Metylperon
Status
Molecule Category	Free-form
ATC	N05AD03
UNII	J8WA3K39B7
EPA CompTox	DTXSID0023298

Synonyms

Bunil

FG 5111

FG-5111

Flubuperone

Melperone

Metylperon

Status

Molecule Category

Free-form

ATC

N05AD03

UNII

J8WA3K39B7

EPA CompTox

DTXSID0023298


InChI Key	DKMFBWQBDIGMHM-UHFFFAOYSA-N
Smiles	CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChI	InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3

InChI Key

DKMFBWQBDIGMHM-UHFFFAOYSA-N

Smiles

CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1

InChI

InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3

Property Name	Value
Molecular Formula	C16H22FNO
Molecular Weight	263.36
AlogP	3.52
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	20.31
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H22FNO

Molecular Weight

263.36

AlogP

3.52

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

20.31

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

19.0

Resources	Reference
ChEBI	93626
ChEMBL	CHEMBL1531134
DrugBank	DB09224
DrugCentral	1677
FDA SRS	J8WA3K39B7
PubChem	15387
SureChEMBL	SCHEMBL146287
ZINC	ZINC000000001672

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

MELPERONE

Structure

Physicochemical Descriptors

Cross References