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Compound Detail

CHEMBL4537786

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Br.N#Cc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4537786
Phase Preclinical
Structure Type MOL
InChI Key ABEDUJLGVCESRJ-UHFFFAOYSA-N
Parent Compound CHEMBL4595669
Active Moiety CHEMBL4595669
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.44
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.82
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 C18H15BrN4O
MW 383.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31358465 10.1016/j.bmcl.2019.07.035 NON-PROTEIN TARGET 5
31358465 10.1016/j.bmcl.2019.07.035 AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 3
31358465 10.1016/j.bmcl.2019.07.035 Unchecked 2
31358465 10.1016/j.bmcl.2019.07.035 No relevant target 2
31358465 10.1016/j.bmcl.2019.07.035 Platelet 1

Data from ChEMBL 36 via Core Engine