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Compound Detail

CHEMBL4638873

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[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(NO)nc2=O)[C@@H](F)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL4638873
Phase Preclinical
Structure Type MOL
InChI Key WINJNGMGIFVAHS-XZMZPDFPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.2
MW (Da)
-0.73
ALogP
9
HBA
4
HBD
165.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11FN6O5
MW 302.22
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.64

Activity Summary

EC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32678592 10.1021/acs.jmedchem.0c00940 Human immunodeficiency virus 1 1
32678592 10.1021/acs.jmedchem.0c00940 HEK293 1

Data from ChEMBL 36 via Core Engine