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Compound Detail

CHEMBL6703

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Cc1cc(O)nc2cc(O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6703
Phase Preclinical
Structure Type MOL
InChI Key MYEVEFULPUKTSZ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
1.95
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO2
MW 175.19
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.30

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22925447 10.1016/j.bmc.2012.07.043 U-937 5
10843202 10.1016/s0960-894x(00)00126-8 H9 2
10843202 10.1016/s0960-894x(00)00126-8 ADMET 1

Data from ChEMBL 36 via Core Engine