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Compound Detail

CHEMBL225847

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Oc1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225847
Phase Preclinical
Structure Type MOL
InChI Key PNJYSPZESHWTRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
6.39
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26O2
MW 370.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
17489579 10.1021/jm0613323 NON-PROTEIN TARGET 2
17489579 10.1021/jm0613323 Unchecked 1

Data from ChEMBL 36 via Core Engine