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Compound Detail

CHEMBL294003

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CCc1cc(/C=C/c2cccnc2)cc(CC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294003
Phase Preclinical
Structure Type MOL
InChI Key SSXFUTUTJFLZGE-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
4.08
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO
MW 253.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
2113949 10.1021/jm00169a010 Polyunsaturated fatty acid 5-lipoxygenase 3
2113949 10.1021/jm00169a010 Cyclooxygenase 3

Data from ChEMBL 36 via Core Engine