CROMOLYN

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
UNII: Y0TK0FS77W

Structure
InChI Key IMZMKUWMOSJXDT-UHFFFAOYSA-N
Smile O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1
InChI
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H16O11
Molecular Weight 468.37
AlogP 2.11
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 173.71
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
52-7000 - - 2340 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stroke 3 D020521 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Mastocytosis 2 D008415 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials
Schizophrenia 1 D012559 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 16110-51-3
ChEBI 59773
ChEMBL CHEMBL428880
DrugBank DB01003
DrugCentral 741
EPA CompTox DTXSID4022860
FDA SRS Y0TK0FS77W
Human Metabolome Database HMDB0015138
Guide to Pharmacology 7608
KEGG C06928
PubChem 2882
SureChEMBL SCHEMBL3865
ZINC ZINC000001530788
CONTENTS