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Compound Detail

CHEMBL4641660

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O=C(Nc1c2c(cc3c1CCC3)CCC2)NC1(c2ccccc2)COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641660
Phase Preclinical
Structure Type MOL
InChI Key FNBOUVKBOOMGBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.71
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O2
MW 348.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
32292543 10.1021/acsmedchemlett.9b00433 NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine