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Compound Detail

CHEMBL513424

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CC(=O)Nc1nc2c(ncn2CC(C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513424
Phase Preclinical
Structure Type MOL
InChI Key PCFAQSSIWKMLGT-ULQHUPADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
2.62
ALogP
8
HBA
2
HBD
132.1
PSA (Ų)
0.62
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 C23H25N5O5
MW 451.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
19121940 10.1016/j.bmcl.2008.12.060 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine