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Compound Detail

CHEMBL5176845

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CCn1cc(Nc2ncc3cccc(Nc4ccc(OC)cc4)c3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176845
Phase Preclinical
Structure Type MOL
InChI Key KDUMDOYCTCYDJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.34
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N6O
MW 360.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
36127295 10.1021/acs.jmedchem.2c00736 eIF-2-alpha kinase GCN2 1

Data from ChEMBL 36 via Core Engine