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Compound Detail

CHEMBL341356

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O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc4c(cc23)OCO4)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341356
Phase Preclinical
Structure Type MOL
InChI Key HBCONDBJRIAUAS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
3.77
ALogP
6
HBA
1
HBD
86.7
PSA (Ų)
0.59
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 C20H14N2O5
MW 362.34
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.80

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11606139 10.1021/jm010001h Unchecked 4

Data from ChEMBL 36 via Core Engine