NAVOXIMOD

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 926SHL95NC

Structure
InChI Key YGACXVRLDHEXKY-WXRXAMBDSA-N
Smile O[C@H](C[C@H]1c2c(F)cccc2-c2cncn21)[C@H]1CC[C@H](O)CC1
InChI
InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21FN2O2
Molecular Weight 316.38
AlogP 2.89
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 58.28
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 86000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 2800-15000 - - -
Enzyme Oxidoreductase
75-75 13-450 - 6 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
71000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3989951
DrugBank DB15439
FDA SRS 926SHL95NC
PDB LKP
PubChem 70914230
SureChEMBL SCHEMBL13469854
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