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Compound Detail

CHEMBL3707375

AMISELIMOD
🧪 Phase II
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🧪 Phase II
CCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3707375
Name AMISELIMOD
Phase Phase II
Structure Type MOL
InChI Key JVCPIJKPAKAIIP-UHFFFAOYSA-N

Known Names

2240442 Amiselimod MT-1303 FREE BASE
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names

Molecular Properties

377.4
MW (Da)
3.67
ALogP
4
HBA
3
HBD
75.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -imod
USAN Year 2015

Extended Properties

Molecular Formula C19H30F3NO3
MW 377.45
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.07

Activity Summary

EC50 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 1
CHEMBL4333
EC50 10.1 10.1 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sphingosine 1-phosphate receptor 1 EC50 = 0.07943 nM 10.1 Modulation of S1PR1 (unknown origin) 36758307

Literature References

PubMed DOI Target Context # Activities
36758307 10.1016/j.ejmech.2023.115182 Sphingosine 1-phosphate receptor 1 1

Data from ChEMBL 36 via Core Engine