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Compound Detail

CHEMBL3740816

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O=C(c1ccc2ccccc2c1)N1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740816
Phase Preclinical
Structure Type MOL
InChI Key NVKSAESULXXSBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

527.5
MW (Da)
6.40
ALogP
3
HBA
0
HBD
45.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H24F3N3O2
MW 527.55
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00023H Tumor necrosis factor 3
32955874 10.1021/acs.jmedchem.0c01316 Tumor necrosis factor ligand superfamily member 11 2
32955874 10.1021/acs.jmedchem.0c01316 BMMC 1

Data from ChEMBL 36 via Core Engine