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Compound Detail

CHEMBL3402064

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CCOC(=O)n1nc(N)c(/N=N/c2ccc(O)cc2)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3402064
Phase Preclinical
Structure Type MOL
InChI Key DSRDBEILHZPCPS-FOCLMDBBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.17
ALogP
9
HBA
3
HBD
141.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N6O3
MW 290.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
25835357 10.1016/j.bmc.2015.03.025 RPMI-8226 1
25835357 10.1016/j.bmc.2015.03.025 MCF7 1
25835357 10.1016/j.bmc.2015.03.025 K562 1
25835357 10.1016/j.bmc.2015.03.025 Cyclin-dependent kinase 2/cyclin E1 1

Data from ChEMBL 36 via Core Engine