LB80380

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S9I9P4J8IU

Structure
InChI Key JLKJXDOWBVVABZ-UHFFFAOYSA-N
Smile CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc32)CC1)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C22H34N5O8P/c1-20(2,3)17(28)31-12-34-36(30,35-13-32-18(29)21(4,5)6)14-33-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34N5O8P
Molecular Weight 527.52
AlogP 3.24
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 166.98
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT DNA disrupting agent PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 2 D019694 ClinicalTrials
Hepatitis B, Chronic 2 D019694 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1652128
DrugBank DB05020
EPA CompTox DTXSID90196062
FDA SRS S9I9P4J8IU
SureChEMBL SCHEMBL4270816
ZINC ZINC000003989271
CONTENTS