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Compound Detail

CHEMBL477756

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COc1ccc2[nH]c3c(C)ccc(C)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477756
Phase Preclinical
Structure Type MOL
InChI Key JYCYJKQLGQKTRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
3.95
ALogP
1
HBA
1
HBD
25.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO
MW 225.29
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
19143528 10.1021/jm800720a Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine