EcoDrugPlus


Synonyms	Amiselimod hydrochloride MT-1303
Status
Molecule Category	Salt-form
UNII	AY898D6RU1

Synonyms

Amiselimod hydrochloride

MT-1303

Status

Molecule Category

Salt-form

UNII

AY898D6RU1


InChI Key	GEDVJGOVRLHFQG-UHFFFAOYSA-N
Smiles	CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.Cl
InChI	InChI=1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H

InChI Key

GEDVJGOVRLHFQG-UHFFFAOYSA-N

Smiles

CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F.Cl

InChI

InChI=1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H

Property Name	Value
Molecular Formula	C19H31ClF3NO3
Molecular Weight	413.91
AlogP	3.67
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	12.0
Polar Surface Area	75.71
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C19H31ClF3NO3

Molecular Weight

413.91

AlogP

3.67

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

12.0

Polar Surface Area

75.71

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

26.0

Mechanism of Action	Action	Reference
Sphingosine 1-phosphate receptor modulator	MODULATOR	PubMed

Mechanism of Action

Action

Reference

Sphingosine 1-phosphate receptor modulator

MODULATOR

PubMed

Resources	Reference
ChEMBL	CHEMBL3707374
FDA SRS	AY898D6RU1
PubChem	67418070
SureChEMBL	SCHEMBL2463915

Resources

Reference

ChEMBL

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...

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Last update: Monday, 3 November 2025

AMISELIMOD HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References