INOSITOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A11HA07
UNII: 4L6452S749

Structure
InChI Key CDAISMWEOUEBRE-GPIVLXJGSA-N
Smile O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O6
Molecular Weight 180.16
AlogP -3.83
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 0.0
Polar Surface Area 121.38
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 30

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 3 D003922 ClinicalTrials
Retinopathy of Prematurity 3 D012178 ClinicalTrials
Hemorrhage 2 D006470 ClinicalTrials
Metabolic Syndrome 2 D024821 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Trichotillomania 2 D014256 ClinicalTrials
Neural Tube Defects 1 D009436 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Polycystic Ovary Syndrome 0 D011085 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 87-89-8
ChEBI 17268
ChEMBL CHEMBL1222251
DrugBank DB13178
DrugCentral 1444
EPA CompTox DTXSID7023146
FDA SRS 4L6452S749
Human Metabolome Database HMDB0000211
Guide to Pharmacology 4495
KEGG C00137
PDB INS
SureChEMBL SCHEMBL5831
ZINC ZINC000100018867
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