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Compound Detail

CHEMBL1951848

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COc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2O)cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951848
Phase Preclinical
Structure Type MOL
InChI Key QUUWHKSQIUDDTK-PKNBQFBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.49
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24O4
MW 388.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
22192055 10.1021/jm2012563 HT-22 3
22192055 10.1021/jm2012563 PC-12 1
22192055 10.1021/jm2012563 N9 1
22192055 10.1021/jm2012563 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine