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Compound Detail

CHEMBL4277380

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CCOC(=O)C1(Cc2ccccc2)CN(c2ccccc2)Cc2nnn(Cc3ccc(Cl)c(Cl)c3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4277380
Phase Preclinical
Structure Type MOL
InChI Key ZKFDZSHKAJTOIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

521.5
MW (Da)
5.70
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26Cl2N4O2
MW 521.45
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.98

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