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Compound Detail

CHEMBL1951815

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CCOc1ccc(-c2cc(=O)c3cc(C)c(C)cc3o2)cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951815
Phase Preclinical
Structure Type MOL
InChI Key RKDLILBDIIMYOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.87
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22O4
MW 338.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
22192055 10.1021/jm2012563 HT-22 2
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