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Compound Detail

CHEMBL538857

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CC(Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)NCC(O)c1cc(O)cc(O)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538857
Phase Preclinical
Structure Type MOL
InChI Key GDNXQAJFCZFEFD-UHFFFAOYSA-N
Parent Compound CHEMBL243266
Active Moiety CHEMBL243266
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
0.65
ALogP
9
HBA
5
HBD
178.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN4O7
MW 480.91
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.20

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17845020 10.1021/jm0704595 Liver microsomes 1

Data from ChEMBL 36 via Core Engine