OZANIMOD HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 3UPR33JAAM

Structure

InChI Key HAOOCAKHSFYDBU-BDQAORGHSA-N
Smiles CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N.Cl
InChI
InChI=1S/C23H24N4O3.ClH/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3;1H/t20-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H25ClN4O3
Molecular Weight 440.93
AlogP 3.63
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 104.2
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Sphingosine 1-phosphate receptor Edg-1 modulator MODULATOR FDA

Target Conservation

Protein: Sphingosine 1-phosphate receptor Edg-1
Description: Sphingosine 1-phosphate receptor 1
Organism : Homo sapiens
P21453 ENSG00000170989

Cross References

Resources Reference
ChEMBL CHEMBL3707246
FDA SRS 3UPR33JAAM
PubChem 91618104
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