NAPHTHALENE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2166IN72UN

Structure
InChI Key UFWIBTONFRDIAS-UHFFFAOYSA-N
Smile c1ccc2ccccc2c1
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8
Molecular Weight 128.17
AlogP 2.84
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2A Cytochrome P450 2A5
- 73961-74000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2A Cytochrome P450 2A6
- 25000-25004 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 16482
ChEMBL CHEMBL16293
EPA CompTox DTXSID8020913
FDA SRS 2166IN72UN
Human Metabolome Database HMDB0029751
KEGG C00829
PDB NPY
PubChem 931
SureChEMBL SCHEMBL8953
ZINC ZINC000000967522
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