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Compound Detail

CHEMBL515178

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O=[N+]([O-])c1c2ccccc2cn1C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515178
Phase Preclinical
Structure Type MOL
InChI Key VIQRVASDVMXCMW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.47
ALogP
3
HBA
0
HBD
48.1
PSA (Ų)
0.61
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 C18H20N2O2
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18805011 10.1016/j.bmc.2008.08.049 Unchecked 1

Data from ChEMBL 36 via Core Engine