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Compound Detail

CHEMBL4649881

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O=C(Nc1c2c(cc3c1CCC3)CCC2)NC(c1ccccc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649881
Phase Preclinical
Structure Type MOL
InChI Key YTWSDVRASDWHRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
5.09
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F3N2O
MW 374.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
32292543 10.1021/acsmedchemlett.9b00433 NACHT, LRR and PYD domains-containing protein 3 2

Data from ChEMBL 36 via Core Engine