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Compound Detail

CHEMBL1767087

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CCc1cc2c(C(=O)c3ccc(OC)cc3)ccc(OC)c2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767087
Phase Preclinical
Structure Type MOL
InChI Key ZZCXSQWKUDBUGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.24
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.66
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 C19H18O4
MW 310.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
21449597 10.1021/jm1015022 Solute carrier family 22 member 12 2

Data from ChEMBL 36 via Core Engine