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Compound Detail

CHEMBL5082150

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O=C(O)c1ccc2oc(CNC(=O)c3cnn4cccnc34)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5082150
Phase Preclinical
Structure Type MOL
InChI Key HMDSISJUQIPTNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
2.10
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N4O4
MW 336.31
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
35108011 10.1021/acs.jmedchem.1c01986 Stimulator of interferon genes protein 6
35108011 10.1021/acs.jmedchem.1c01986 ADMET 5

Data from ChEMBL 36 via Core Engine