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Compound Detail

CHEMBL219159

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O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)Cc2ccccc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL219159
Phase Preclinical
Structure Type MOL
InChI Key UZHRKFKSACFLDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
3.78
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H12N2O2
MW 324.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 9 1
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 11 1

Data from ChEMBL 36 via Core Engine