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Compound Detail

CHEMBL498210

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COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498210
Phase Preclinical
Structure Type MOL
InChI Key JBOUDUATEHZGBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.99
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO4
MW 307.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
18849165 10.1016/j.bmcl.2008.09.088 T47D 1
18849165 10.1016/j.bmcl.2008.09.088 HCT-116 1
18849165 10.1016/j.bmcl.2008.09.088 SNU-398 1

Data from ChEMBL 36 via Core Engine