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Compound Detail

CHEMBL1951844

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CCOc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2O)cc1OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951844
Phase Preclinical
Structure Type MOL
InChI Key TYDVVAJNQBOCGL-VQHVLOKHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.70
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24O4
MW 340.42
Aromatic Rings 2
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