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Compound Detail

CHEMBL3347501

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C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3347501
Phase Preclinical
Structure Type MOL
InChI Key ZVZCYSQBQLWXCC-HRCADAONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

241.4
MW (Da)
4.18
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.77
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 C17H23N
MW 241.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.96

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