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Compound Detail

CHEMBL2321947

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O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccc(CO)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2321947
Phase Preclinical
Structure Type MOL
InChI Key VUVJAZSCCQYIRV-SQFISAMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

371.2
MW (Da)
2.91
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11BrN2O3
MW 371.19
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
23336033 10.1021/ml300207a Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
23336033 10.1021/ml300207a Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
23336033 10.1021/ml300207a Casein kinase I isoform alpha 1
23336033 10.1021/ml300207a Glycogen synthase kinase 3 beta 1
23336033 10.1021/ml300207a Cyclin-dependent kinase 5 1

Data from ChEMBL 36 via Core Engine