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Compound Detail

CHEMBL3410749

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Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410749
Phase Preclinical
Structure Type MOL
InChI Key HGGAOFCVBOPVHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
4.20
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O4
MW 334.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
25581017 10.1021/jm5018187 Krueppel-like factor 10 2

Data from ChEMBL 36 via Core Engine