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Compound Detail

CHEMBL271961

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COc1cc2c3c(cn(C)c3c1OC)CCN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271961
Phase Preclinical
Structure Type MOL
InChI Key GEAPABQRLPJCNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.16
ALogP
4
HBA
1
HBD
35.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O2
MW 232.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
18077173 10.1016/j.bmc.2007.11.063 NCI-H460 1

Data from ChEMBL 36 via Core Engine