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Compound Detail

CHEMBL1240752

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COc1cc(-c2ccc(C)cc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1240752
Phase Preclinical
Structure Type MOL
InChI Key FDGDFWQUKJXKHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
4.22
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO
MW 249.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
20554355 10.1016/j.ejmech.2010.05.043 HUVEC 6
35245665 10.1016/j.bmcl.2022.128649 Mucor circinelloides 2
20554355 10.1016/j.ejmech.2010.05.043 NON-PROTEIN TARGET 1
20554355 10.1016/j.ejmech.2010.05.043 NCI-H460 1

Data from ChEMBL 36 via Core Engine