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Compound Detail

CHEMBL1089789

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COc1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089789
Phase Preclinical
Structure Type MOL
InChI Key VUPWYEZQYQYEKD-CSKARUKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.11
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.80
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 C18H16N2O3
MW 308.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.57

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