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Compound Detail

CHEMBL4290180

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CCCCCCCCn1nnc2c1C(Cc1ccccc1)(C(=O)OCC)CN(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290180
Phase Preclinical
Structure Type MOL
InChI Key FTDMXRCCJWMYDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
5.70
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N4O2
MW 474.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.58

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