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Compound Detail

CHEMBL4094262

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N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094262
Phase Preclinical
Structure Type MOL
InChI Key WBKDQBSSRNRVGN-GXTWGEPZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.25
ALogP
6
HBA
0
HBD
92.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3
MW 336.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
28870395 10.1016/j.bmcl.2017.08.056 Unchecked 2
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

Data from ChEMBL 36 via Core Engine