MITOQUINONE CATION

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 47BYS17IY0

Structure
InChI Key OIIMUKXVVLRCAF-UHFFFAOYSA-N
Smile COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O
InChI
InChI=1S/C37H44O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H44O4P+
Molecular Weight 583.73
AlogP 7.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 16.0
Polar Surface Area 52.6
Molecular species None
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 5200 6600 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1229093
DrugBank DB05063
FDA SRS 47BYS17IY0
PubChem 11388332
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