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Compound Detail

CHEMBL262349

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CC(=O)N(Cc1ccccc1)Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262349
Phase Preclinical
Structure Type MOL
InChI Key IEQSIMAICBMYEP-DLVXIWMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
-0.01
ALogP
9
HBA
3
HBD
133.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O5
MW 413.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.22

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