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Compound Detail

CHEMBL2158875

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O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccc(Cl)cn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158875
Phase Preclinical
Structure Type MOL
InChI Key BCZINSDXRUDUOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.8
MW (Da)
2.01
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClN3O4
MW 357.75
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
23040894 10.1016/j.bmc.2012.09.008 Unchecked 2

Data from ChEMBL 36 via Core Engine