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Compound Detail

CHEMBL5595048

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C[C@@H]1[C@H]2C[C@@H](C[C@H]1OC(=O)CN1CCOCC1)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595048
Phase Preclinical
Structure Type MOL
InChI Key GDQQRMZQOYLZQS-XJFOESAGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
1.93
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27NO3
MW 281.40
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.14

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
38889610 10.1016/j.ejmech.2024.116596 ADMET 2
38889610 10.1016/j.ejmech.2024.116596 HEK-293T 1
38889610 10.1016/j.ejmech.2024.116596 Ebolavirus 1

Data from ChEMBL 36 via Core Engine