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Compound Detail

CHEMBL540130

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Cc1c(COc2ccc(CC(C)NCC(O)c3cc(O)cc(O)c3)cc2)no[n+]1[O-].Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL540130
Phase Preclinical
Structure Type MOL
InChI Key LQLQEQUIOIUBCB-UHFFFAOYSA-N
Parent Compound CHEMBL395082
Active Moiety CHEMBL395082
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
1.86
ALogP
8
HBA
4
HBD
134.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN3O6
MW 451.91
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.17

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