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Compound Detail

CHEMBL4289994

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COc1ccc(CCn2nnc3c2CCN(c2ccccc2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289994
Phase Preclinical
Structure Type MOL
InChI Key OAEQZCVOWIUECL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.09
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O
MW 334.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
30286952 10.1016/j.bmcl.2018.09.019 Unchecked 6
30286952 10.1016/j.bmcl.2018.09.019 Human alphaherpesvirus 1 2
30286952 10.1016/j.bmcl.2018.09.019 Human coronavirus 229E 1
30286952 10.1016/j.bmcl.2018.09.019 HEL 1
30286952 10.1016/j.bmcl.2018.09.019 Human alphaherpesvirus 2 1
30286952 10.1016/j.bmcl.2018.09.019 Vaccinia virus 1
30286952 10.1016/j.bmcl.2018.09.019 Human adenovirus 2 1

Data from ChEMBL 36 via Core Engine