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Compound Detail

CHEMBL519894

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COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519894
Phase Preclinical
Structure Type MOL
InChI Key KGPAYJZAMGEDIQ-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.49
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO4
MW 357.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
33158578 10.1016/j.ejmech.2020.112982 Unchecked 1

Data from ChEMBL 36 via Core Engine