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Compound Detail

CHEMBL4856645

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N#Cc1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4856645
Phase Preclinical
Structure Type MOL
InChI Key LCSSVRYMQCYXOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.94
ALogP
3
HBA
2
HBD
81.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N4O
MW 276.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
34098466 10.1016/j.ejmech.2021.113554 Glycogen synthase kinase-3 beta 2
34098466 10.1016/j.ejmech.2021.113554 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine