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Compound Detail

CHEMBL220961

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O=C1NC(=O)c2c1c1c(c3c2-c2ccccc2C3)Cc2ccccc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220961
Phase Preclinical
Structure Type MOL
InChI Key MNTTYJWWYOYBPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.71
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.44
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 C22H13NO2
MW 323.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 9 2
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 11 1
17266195 10.1021/jm051074u Choline O-acetyltransferase 1

Data from ChEMBL 36 via Core Engine