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Compound Detail

CHEMBL4483626

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c1ccc(CN2CCc3c([nH]c4ccccc34)C2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4483626
Phase Preclinical
Structure Type MOL
InChI Key MFFCWAMEPREWCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
5.32
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N2
MW 338.45
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
27280693 10.1021/acs.jmedchem.6b00035 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
27280693 10.1021/acs.jmedchem.6b00035 No relevant target 1
27280693 10.1021/acs.jmedchem.6b00035 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine