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Compound Detail

CHEMBL213454

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Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL213454
Phase Preclinical
Structure Type MOL
InChI Key RQGLDKGZSNDMAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
5.19
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrN3O2
MW 370.21
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
16854069 10.1021/jm060314i SH-SY5Y 1
16854069 10.1021/jm060314i Glycogen synthase kinase-3 1
16854069 10.1021/jm060314i Unchecked 1
16854069 10.1021/jm060314i Cyclin-dependent kinase 5/CDK5 activator 1 1
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