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Compound Detail

CHEMBL1830061

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O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830061
Phase Preclinical
Structure Type MOL
InChI Key BUPAMFGRFQGRCA-YPKPFQOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.2
MW (Da)
3.42
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H9BrN2O2
MW 341.16
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
27726390 10.1021/acs.jnatprod.6b00285 KCL-22 2
28743492 10.1016/j.bmc.2017.07.009 HepG2 1
29122482 10.1016/j.bmcl.2017.10.069 HT-22 1

Data from ChEMBL 36 via Core Engine