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Compound Detail

CHEMBL4449604

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N#CCC1(O)C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449604
Phase Preclinical
Structure Type MOL
InChI Key AGPGRSDCXHCBJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
1.99
ALogP
4
HBA
3
HBD
102.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O3
MW 307.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
34780899 10.1016/j.bmcl.2021.128449 Unchecked 1

Data from ChEMBL 36 via Core Engine