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Compound Detail

CHEMBL79780

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O=C1/C(=C/c2ccc(O)c(O)c2)C(=O)c2cc([N+](=O)[O-])ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79780
Phase Preclinical
Structure Type MOL
InChI Key LJNQRTBSBCTLCV-XGICHPGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
2.47
ALogP
6
HBA
2
HBD
117.7
PSA (Ų)
0.29
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 C16H9NO6
MW 311.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
9873567 10.1016/s0960-894x(98)00445-4 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine