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Compound Detail

CHEMBL5204781

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CN1Cc2nn(Cc3cccc(O)c3)c(-c3ccccc3CO)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204781
Phase Preclinical
Structure Type MOL
InChI Key OQXIVIXISRHPRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.74
ALogP
5
HBA
2
HBD
61.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O2
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
35477061 10.1016/j.bmc.2022.116765 Unchecked 1

Data from ChEMBL 36 via Core Engine