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Compound Detail

CHEMBL409871

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OC[C@H]1O[C@@H](n2cnc3c(COc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409871
Phase Preclinical
Structure Type MOL
InChI Key HBXYOOTWZDQTGR-DNNBLBMLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
0.02
ALogP
9
HBA
3
HBD
122.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O5
MW 358.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
18078757 10.1016/j.bmc.2007.11.067 L1210 1
18078757 10.1016/j.bmc.2007.11.067 HL-60 1
18078757 10.1016/j.bmc.2007.11.067 CCRF-CEM 1
18078757 10.1016/j.bmc.2007.11.067 Hepatitis C virus 1
18078757 10.1016/j.bmc.2007.11.067 NON-PROTEIN TARGET 1
18078757 10.1016/j.bmc.2007.11.067 HeLa 1

Data from ChEMBL 36 via Core Engine