TOLUENE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3FPU23BG52

Structure
InChI Key YXFVVABEGXRONW-UHFFFAOYSA-N
Smile Cc1ccccc1
InChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8
Molecular Weight 92.14
AlogP 2.0
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 1.0
Heavy Atoms 7.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 5-4900 71000 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hot Flashes 2 D019584 ClinicalTrials

Cross References

Resources Reference
ChEBI 17578
ChEMBL CHEMBL9113
DrugBank DB11558
EPA CompTox DTXSID7021360
FDA SRS 3FPU23BG52
Human Metabolome Database HMDB0034168
Guide to Pharmacology 5481
KEGG C01455
PDB MBN
PubChem 1140
SureChEMBL SCHEMBL1
ZINC ZINC000000967534
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