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Compound Detail

CHEMBL374722

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O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)-c2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374722
Phase Preclinical
Structure Type MOL
InChI Key APVILWMLHFTGRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.14
ALogP
1
HBA
2
HBD
44.9
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 C21H14N2O
MW 310.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.68

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