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Compound Detail

CHEMBL3347525

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C=C(C)C[C@H]1[C@H]2c3c(Br)cccc3[C@H](CC2(C)C)N1Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3347525
Phase Preclinical
Structure Type MOL
InChI Key FVPRTPRXRXZWDJ-LSQMVHIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

449.4
MW (Da)
7.34
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29BrN2
MW 449.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
24466406 10.1039/c3md00061c Cytochrome b-245 heavy chain 2
24466406 10.1039/c3md00061c Xanthine dehydrogenase/oxidase 1
24466406 10.1039/c3md00061c NADPH oxidase 5 1
24466406 10.1039/c3md00061c NADPH oxidase 4 1
24466406 10.1039/c3md00061c NADPH oxidase 1 1

Data from ChEMBL 36 via Core Engine