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Compound Detail

CHEMBL63313

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O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63313
Phase Preclinical
Structure Type MOL
InChI Key NLUWLSIWLAKEAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
4.00
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.59
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 C17H12N2O3
MW 292.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.47

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