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Compound Detail

CHEMBL4778693

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CC(C)COC(=O)N1CC(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778693
Phase Preclinical
Structure Type MOL
InChI Key MPOLHVCSINJJDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.24
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O3
MW 248.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
31893549 10.1016/j.ejmech.2019.111987 Unchecked 5
34998058 10.1016/j.ejmech.2021.114085 Human immunodeficiency virus type 1 reverse transcriptase 2
31893549 10.1016/j.ejmech.2019.111987 MT2 1

Data from ChEMBL 36 via Core Engine