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Compound Detail

CHEMBL1215438

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COc1c(-c2ccccc2)no[n+]1[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1215438
Phase Preclinical
Structure Type MOL
InChI Key JHLAHGBCGHFLLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
0.98
ALogP
4
HBA
0
HBD
62.2
PSA (Ų)
0.67
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 C9H8N2O3
MW 192.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.45

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