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Compound Detail

CHEMBL606814

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O=C1Nc2c(Br)cc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(Br)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL606814
Phase Preclinical
Structure Type MOL
InChI Key XWJPREXBPVOJLG-OWBHPGMISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

465.1
MW (Da)
4.09
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.38
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 C16H7Br2N3O4
MW 465.06
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
19665384 10.1016/j.bmc.2009.07.051 Unchecked 2
19665384 10.1016/j.bmc.2009.07.051 Cyclin-dependent kinase 5/CDK5 activator 1 1
19665384 10.1016/j.bmc.2009.07.051 Glycogen synthase kinase-3 1
19665384 10.1016/j.bmc.2009.07.051 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine