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Compound Detail

CHEMBL1089790

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O=c1[nH]c(/C=C/c2ccc(O)c(O)c2O)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089790
Phase Preclinical
Structure Type MOL
InChI Key JSYTWTNTYJMALX-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.21
ALogP
5
HBA
4
HBD
106.4
PSA (Ų)
0.54
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 C16H12N2O4
MW 296.28
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
20303768 10.1016/j.bmc.2010.02.025 SK-N-MC 1
20303768 10.1016/j.bmc.2010.02.025 HCT-116 1
20303768 10.1016/j.bmc.2010.02.025 ADMET 1
20303768 10.1016/j.bmc.2010.02.025 No relevant target 1

Data from ChEMBL 36 via Core Engine