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Compound Detail

CHEMBL63149

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COc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63149
Phase Preclinical
Structure Type MOL
InChI Key WLXQUTAUQBZRKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
4.01
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.58
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 C18H14N2O4
MW 322.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
10999475 10.1016/s0960-894x(00)00402-9 DNA polymerase catalytic subunit 1

Data from ChEMBL 36 via Core Engine