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Compound Detail

CHEMBL2147417

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C[C@@H]1[C@H](C)[C@@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL2147417
Phase Preclinical
Structure Type MOL
InChI Key PIBJADPEZQHMQS-FRVJLOGJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.18
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H20O3
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.05

Literature References

PubMed DOI Target Context # Activities
21800856 10.1021/np200343t Mus musculus 4
21800856 10.1021/np200343t Unchecked 2
21800856 10.1021/np200343t Prostaglandin G/H synthase 2 1
21800856 10.1021/np200343t Polyunsaturated fatty acid 5-lipoxygenase 1
21800856 10.1021/np200343t Prostaglandin E synthase 1
21800856 10.1021/np200343t Inhibitor of nuclear factor kappa-B kinase subunit beta 1
21800856 10.1021/np200343t Peroxisome proliferator-activated receptor alpha 1
21800856 10.1021/np200343t Peroxisome proliferator-activated receptor gamma 1
21800856 10.1021/np200343t Glucocorticoid receptor 1
21800856 10.1021/np200343t Radical scavenging activity 1
21800856 10.1021/np200343t Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine