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Compound Detail

CHEMBL3765802

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COc1ccc(CN2CCN(c3cc(=O)c4c(OC)cc(OC)cc4o3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765802
Phase Preclinical
Structure Type MOL
InChI Key ZTNOEZFOSGUDDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.14
ALogP
7
HBA
0
HBD
64.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O5
MW 410.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
26774038 10.1016/j.ejmech.2015.12.010 Multidrug resistance-associated protein 1 1
26774038 10.1016/j.ejmech.2015.12.010 ATP-dependent translocase ABCB1 1
26774038 10.1016/j.ejmech.2015.12.010 Broad substrate specificity ATP-binding cassette transporter ABCG2 1

Data from ChEMBL 36 via Core Engine