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Compound Detail

CHEMBL242546

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Oc1cccc2ccc(/C=C/c3ccc(Br)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242546
Phase Preclinical
Structure Type MOL
InChI Key YIABCVSURKCEHB-UXBLZVDNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)
4.87
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.73
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 C17H12BrNO
MW 326.19
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.42

Activity Summary

IC50 1 meas.

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 Unchecked 1
17142046 10.1016/j.bmc.2006.11.020 SK-N-MC 1
17142046 10.1016/j.bmc.2006.11.020 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine