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Compound Detail

CHEMBL3128164

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C=C1c2c(ncn(CC(O)CN3CCOCC3)c2=O)OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3128164
Phase Preclinical
Structure Type MOL
InChI Key KCMATMNRYMJEQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
0.12
ALogP
7
HBA
1
HBD
76.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N3O4
MW 321.38
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
24534487 10.1016/j.bmcl.2014.01.072 Unchecked 3

Data from ChEMBL 36 via Core Engine