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Compound Detail

CHEMBL4792277

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Cc1cc(F)c(CNc2ncc(-c3cccnc3C)c3nncn23)c2c1OCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4792277
Phase Preclinical
Structure Type MOL
InChI Key GUUZGZDEGHWZHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
3.49
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.57
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 C21H19FN6O
MW 390.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
33684441 10.1016/j.bmcl.2021.127904 No relevant target 2
33684441 10.1016/j.bmcl.2021.127904 ADMET 2
33684441 10.1016/j.bmcl.2021.127904 Unchecked 1
33684441 10.1016/j.bmcl.2021.127904 Polycomb protein EED 1

Data from ChEMBL 36 via Core Engine