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Compound Detail

CHEMBL4085791

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CC(C)(C)CC(C)(C)NC(=O)Nc1ncccc1OCc1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085791
Phase Preclinical
Structure Type MOL
InChI Key QQYYFVHVSNOLPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
5.14
ALogP
3
HBA
2
HBD
63.2
PSA (Ų)
0.74
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28FN3O2
MW 373.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
28152427 10.1016/j.ejmech.2016.12.057 N2a 4
28152427 10.1016/j.ejmech.2016.12.057 Peptidyl-prolyl cis-trans isomerase F, mitochondrial 3

Data from ChEMBL 36 via Core Engine