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Compound Detail

CHEMBL4073636

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CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2C#N)CC(C)(C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073636
Phase Preclinical
Structure Type MOL
InChI Key LDWXERNINWPHAB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.19
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N4O2
MW 302.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.50

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28870395 10.1016/j.bmcl.2017.08.056 Poliovirus 1 1
28870395 10.1016/j.bmcl.2017.08.056 HEp-2 1
28870395 10.1016/j.bmcl.2017.08.056 Coxsackievirus B1 1
28870395 10.1016/j.bmcl.2017.08.056 Coxsackievirus B3 1
28870395 10.1016/j.bmcl.2017.08.056 Unchecked 1

Data from ChEMBL 36 via Core Engine