OZANIMOD HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3UPR33JAAM

Structure
InChI Key HAOOCAKHSFYDBU-BDQAORGHSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis 4 D009103 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707246
FDA SRS 3UPR33JAAM
PubChem 91618104
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