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Compound Detail

CHEMBL340809

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CC(=O)OC1C(N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340809
Phase Preclinical
Structure Type MOL
InChI Key OPCSQRSUUMAUCI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.3
MW (Da)
3.25
ALogP
6
HBA
0
HBD
114.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O5
MW 329.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.85

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7525962 10.1021/jm00049a014 Human immunodeficiency virus 1 2

Data from ChEMBL 36 via Core Engine