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Compound Detail

CHEMBL4176009

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O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176009
Phase Preclinical
Structure Type MOL
InChI Key DPNJGIMXXIWLSV-BHIFYINESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.25
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO3
MW 377.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
29750408 10.1021/acs.jmedchem.8b00358 ADMET 2
29750408 10.1021/acs.jmedchem.8b00358 Keap1/Nrf2 1

Data from ChEMBL 36 via Core Engine