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Compound Detail

CHEMBL407745

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COc1cc2c3c(c[nH]c3c1OC)CCN2C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407745
Phase Preclinical
Structure Type MOL
InChI Key CWDFRSWZRAFFRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.70
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.84
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 C13H14N2O3
MW 246.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.68

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