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Compound Detail

CHEMBL3577818

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COc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(C)n3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577818
Phase Preclinical
Structure Type MOL
InChI Key PHYRXVMIYIMSTF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.36
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O2
MW 359.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25856229 10.1021/acs.jmedchem.5b00012 PA/PB1 1
25856229 10.1021/acs.jmedchem.5b00012 Influenza A virus 1
25856229 10.1021/acs.jmedchem.5b00012 HEK-293T 1
25856229 10.1021/acs.jmedchem.5b00012 MDCK 1
25856229 10.1021/acs.jmedchem.5b00012 Liver microsome 1
33962311 10.1016/j.ejmech.2021.113494 Influenza A virus 1
33962311 10.1016/j.ejmech.2021.113494 MDCK 1
33962311 10.1016/j.ejmech.2021.113494 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine