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Compound Detail

CHEMBL1212966

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[O-][n+]1onc(-c2ccccc2)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1212966
Phase Preclinical
Structure Type MOL
InChI Key KDARYXSKPCAXJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.64
ALogP
3
HBA
0
HBD
53.0
PSA (Ų)
0.64
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 C14H10N2O2
MW 238.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
20684594 10.1021/jm100066y ATP-dependent translocase ABCB1 1
20684594 10.1021/jm100066y Multidrug resistance-associated protein 1 1

Data from ChEMBL 36 via Core Engine