EcoDrugPlus


Synonyms	Amorolfine Amorolfine (as hydrochloride) Amorolfine hcl Amorolfine hydrochloride Loceryl Loceryl curanail Omicur RO 14-4767/000
Status
Molecule Category	Free-form
ATC	D01AE16
UNII	AB0BHP2FH0
EPA CompTox	DTXSID0046690

Synonyms

Amorolfine

Amorolfine (as hydrochloride)

Amorolfine hcl

Amorolfine hydrochloride

Loceryl

Loceryl curanail

Omicur

RO 14-4767/000

Status

Molecule Category

Free-form

ATC

D01AE16

UNII

AB0BHP2FH0

EPA CompTox

DTXSID0046690


InChI Key	MQHLMHIZUIDKOO-AYHJJNSGSA-N
Smiles	CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChI	InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+

InChI Key

MQHLMHIZUIDKOO-AYHJJNSGSA-N

Smiles

CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1

InChI

InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+

Property Name	Value
Molecular Formula	C21H35NO
Molecular Weight	317.52
AlogP	4.66
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	12.47
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C21H35NO

Molecular Weight

317.52

AlogP

4.66

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

12.47

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

23.0

Resources	Reference
ChEBI	599440
ChEMBL	CHEMBL489411
DrugBank	DB09056
DrugCentral	188
FDA SRS	AB0BHP2FH0
SureChEMBL	SCHEMBL150666

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

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

AMOROLFINE

Structure

Physicochemical Descriptors

Cross References