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Compound Detail

CHEMBL4857683

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O=C(OC1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccc(OC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4857683
Phase Preclinical
Structure Type MOL
InChI Key UOQNVTPYCMAUHM-BBMPLOMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
4.41
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.74
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 C26H30N2O3
MW 418.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
34153473 10.1016/j.bmcl.2021.128209 Unchecked 1

Data from ChEMBL 36 via Core Engine