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Compound Detail

CHEMBL5204720

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COCCNC(=O)CCNc1ncc2c(Br)nn(-c3ccc4ncccc4c3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204720
Phase Preclinical
Structure Type MOL
InChI Key HWAPKWYXKNKMAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.3
MW (Da)
2.69
ALogP
8
HBA
2
HBD
106.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20BrN7O2
MW 470.33
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
36127295 10.1021/acs.jmedchem.2c00736 eIF-2-alpha kinase GCN2 2

Data from ChEMBL 36 via Core Engine