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Compound Detail

CHEMBL507087

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CCOC(=O)c1ccc(-c2noc(CO)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL507087
Phase Preclinical
Structure Type MOL
InChI Key DEAPJFRPWHOYPQ-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
1.41
ALogP
6
HBA
1
HBD
85.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O4
MW 248.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.37

Activity Summary

EC50 1 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19053778 10.1021/jm800869t Unchecked 2
19053778 10.1021/jm800869t Human immunodeficiency virus 1 1
19053778 10.1021/jm800869t MT2 1

Data from ChEMBL 36 via Core Engine