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Compound Detail

CHEMBL3707247

OZANIMOD
💊 Approved Drug
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💊 Approved Drug
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707247
Name OZANIMOD
Phase Approved
Structure Type MOL
InChI Key XRVDGNKRPOAQTN-FQEVSTJZSA-N
Therapeutic ✓ Yes

Known Names

Ozanimod RPC-1063 RPC1063
6
Targets
12
Activities
2
Assay Types
1
PK Parameters
20
Publications
3
Known Names
6
Indications
1
Mechanisms

Molecular Properties

404.5
MW (Da)
3.63
ALogP
7
HBA
2
HBD
104.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2020
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -imod
USAN Year 2015

Extended Properties

Molecular Formula C23H24N4O3
MW 404.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.07

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Sphingosine 1-phosphate receptor 5 modulator MODULATOR Sphingosine 1-phosphate receptor 5 ✓ ✓

Indications

Colitis, Ulcerative Crohn Disease Multiple Sclerosis Multiple Sclerosis, Relapsing-Remitting Severe Acute Respiratory Syndrome Liver Diseases

ATC Classification

L04AE02
ozanimod
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS

Activity Summary

EC50 11 meas. best 9.8
IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingosine 1-phosphate receptor 1
CHEMBL4333
 EC50 9.8 9.4433 0.2 6
Sphingosine 1-phosphate receptor 5
CHEMBL2274
 EC50 8.37 7.815 4.3 2
Sphingosine 1-phosphate receptor 4
CHEMBL3230
 EC50 5.38 5.38 4192.0 1
G-protein coupled receptor 183
CHEMBL3259470
 IC50 5.36 5.36 4394.3 1
Sphingosine 1-phosphate receptor 2
CHEMBL2955
 EC50 5.02 5.02 9559.0 1
Sphingosine 1-phosphate receptor 3
CHEMBL3892
 EC50 5.0 5.0 9938.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 19.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sphingosine 1-phosphate receptor 1 EC50 = 0.16 nM 9.8 Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhi... -
Sphingosine 1-phosphate receptor 1 EC50 = 0.16 nM 9.8 Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in fors... 30409535
Sphingosine 1-phosphate receptor 1 EC50 = 0.16 nM 9.8 Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM... 31266686
Sphingosine 1-phosphate receptor 1 EC50 = 0.3981 nM 9.4 Modulation of S1PR1 (unknown origin) 36758307
Sphingosine 1-phosphate receptor 1 EC50 = 0.41 nM 9.39 Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of... 30409535
Sphingosine 1-phosphate receptor 1 EC50 = 3.359 nM 8.47 GPCR PRESTO-Tango dose-response in agonist mode with target: S1PR1 -
Sphingosine 1-phosphate receptor 5 EC50 = 4.3 nM 8.37 Agonist activity at S1P5 (unknown origin) assessed as stimulation of [35S]GTPgam... 31266686
Sphingosine 1-phosphate receptor 5 EC50 = 55.2 nM 7.26 Agonist activity at human S1P5 expressed in bla TANGO U2OS cells assessed as inh... -
Sphingosine 1-phosphate receptor 4 EC50 = 4192.0 nM 5.38 Agonist activity at human S1P4 expressed in bla TANGO U2OS cells assessed as inh... -
G-protein coupled receptor 183 IC50 = 4394.26 nM 5.36 GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR183 -
Sphingosine 1-phosphate receptor 2 EC50 = 9559.0 nM 5.02 Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhi... -
Sphingosine 1-phosphate receptor 3 EC50 = 9938.0 nM 5.0 Agonist activity at human S1P3 Galpha5 expressed in NFAT-bla HEK293T cells asses... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 8
- 10.6019/CHEMBL5058564 HEK-293T 8
- 10.6019/CHEMBL5058564 Fibroblast 8
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 8
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 8
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 8
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 8
- 10.6019/CHEMBL5209801 Apelin receptor 8
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 8
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 8
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 8
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 8
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 8
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 8
- 10.6019/CHEMBL5058564 U2OS 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
31266686 10.1016/j.bmcl.2019.06.042 Unchecked 3
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine