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Compound Detail

CHEMBL324653

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O=C(O)c1n[nH]nc1C(=O)O

Basic Information

ChEMBL ID CHEMBL324653
Phase Preclinical
Structure Type MOL
InChI Key TZFOEYRGARRRGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

157.1
MW (Da)
-0.80
ALogP
4
HBA
3
HBD
116.2
PSA (Ų)
0.52
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 C4H3N3O4
MW 157.09
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vero
CHEMBL391
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vero IC50 = 5.0 nM 8.3 Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition ... 10464017

Literature References

PubMed DOI Target Context # Activities
10464017 10.1021/jm981132u Vero 1

Data from ChEMBL 36 via Core Engine