Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03FA08
UNII: R8I97I2L24

Structure

InChI Key ZDLBNXXKDMLZMF-UHFFFAOYSA-N
Smile CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1
InChI
InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N4O4
Molecular Weight 402.5
AlogP 3.13
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 110.73
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dyspepsia 3 D004415 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 66564-14-5
ChEBI 135642
ChEMBL CHEMBL2104523
DrugBank DB08810
DrugCentral 652
FDA SRS R8I97I2L24
Human Metabolome Database HMDB0015698
PubChem 68867
SureChEMBL SCHEMBL476454