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Compound Detail

CHEMBL354582

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COc1ccc(NC(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354582
Phase Preclinical
Structure Type MOL
InChI Key LJQBNUBWKBTALY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.9
MW (Da)
5.28
ALogP
6
HBA
1
HBD
86.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20ClN3O4
MW 473.92
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
11958985 10.1016/s0960-894x(02)00051-3 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine