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Compound Detail

CHEMBL242547

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Oc1ccccc1/N=C/c1ccc2cccc(O)c2n1

Basic Information

ChEMBL ID CHEMBL242547
Phase Preclinical
Structure Type MOL
InChI Key KIBXJRHVVSRSKE-LICLKQGHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.40
ALogP
4
HBA
2
HBD
65.7
PSA (Ų)
0.70
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 C16H12N2O2
MW 264.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Chlorella vulgaris
CHEMBL613342
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Chlorella vulgaris IC50 = 11000.0 nM 4.96 Inhibition of Chlorella vulgaris Beij assessed as reduction of chlorophyll conte... 17142046

Literature References

PubMed DOI Target Context # Activities
17142046 10.1016/j.bmc.2006.11.020 No relevant target 1
17142046 10.1016/j.bmc.2006.11.020 Chlorella vulgaris 1
17142046 10.1016/j.bmc.2006.11.020 SK-N-MC 1
17142046 10.1016/j.bmc.2006.11.020 Unchecked 1

Data from ChEMBL 36 via Core Engine