Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q8LVL5Z68H

Structure

InChI Key DKSVBVKHUICELN-UHFFFAOYSA-N
Smile CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12
InChI
InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N4O3
Molecular Weight 382.46
AlogP 4.01
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 73.51
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR VP1 capsid protein inhibitor PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2062774
EPA CompTox DTXSID40195984
FDA SRS Q8LVL5Z68H
PDB BT8
PubChem 504457
SureChEMBL SCHEMBL423752