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Compound Detail

CHEMBL4522904

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COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(NC(=O)c4ccccc4)cc3)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4522904
Phase Preclinical
Structure Type MOL
InChI Key YFLPWNRDKWLFOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
6.18
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N2O3
MW 478.59
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
30584838 10.1021/acs.jmedchem.8b01655 ATP-dependent translocase ABCB1 3
30584838 10.1021/acs.jmedchem.8b01655 Multidrug resistance-associated protein 1 1
30584838 10.1021/acs.jmedchem.8b01655 Broad substrate specificity ATP-binding cassette transporter ABCG2 1

Data from ChEMBL 36 via Core Engine