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Compound Detail

CHEMBL3318086

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COc1cc(C(=O)c2cc[nH]c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318086
Phase Preclinical
Structure Type MOL
InChI Key QSLYTFFCUQBEFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
2.27
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.84
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 C14H15NO4
MW 261.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
25025991 10.1021/jm500561a Tubulin 1

Data from ChEMBL 36 via Core Engine