Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5P184180P5

Structure

InChI Key LECZXZOBEZITCL-UHFFFAOYSA-N
Smile Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C
InChI
InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23FN4
Molecular Weight 362.45
AlogP 5.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 41.05
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 2 D005764 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135529
ChEMBL CHEMBL1618279
DrugBank DB16308
DrugCentral 3525
FDA SRS 5P184180P5
PubChem 204104
SureChEMBL SCHEMBL2194461