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Compound Detail

CHEMBL3577797

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COc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)C=C(C)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577797
Phase Preclinical
Structure Type MOL
InChI Key UNVROCJJYIRAIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.46
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.74
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 C20H19N5O2
MW 361.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
25856229 10.1021/acs.jmedchem.5b00012 Influenza A virus 1
25856229 10.1021/acs.jmedchem.5b00012 PA/PB1 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

Data from ChEMBL 36 via Core Engine