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Compound Detail

CHEMBL62396

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O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O

Basic Information

ChEMBL ID CHEMBL62396
Phase Preclinical
Structure Type MOL
InChI Key QBANLACWAGKATG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.43
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O4
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.89

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