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Compound Detail

CHEMBL83374

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COc1cccc(COc2ccccc2C2=NOC(CO)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83374
Phase Preclinical
Structure Type MOL
InChI Key ZGFBGKQJSQJGBG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
2.76
ALogP
5
HBA
1
HBD
60.3
PSA (Ų)
0.89
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 C18H19NO4
MW 313.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.48

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
12852954 10.1016/s0960-894x(03)00482-7 Cystic fibrosis transmembrane conductance regulator 3

Data from ChEMBL 36 via Core Engine