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Compound Detail

CHEMBL338701

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O=C(O)COc1cccc(-c2ocnc2-c2nnc(-c3ccccc3)n2-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338701
Phase Preclinical
Structure Type MOL
InChI Key JQQKBSVWCFVHIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
4.72
ALogP
7
HBA
1
HBD
103.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18N4O4
MW 438.44
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
7504734 10.1021/jm00076a018 Homo sapiens 1

Data from ChEMBL 36 via Core Engine