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Compound Detail

CHEMBL4642236

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CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccncc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642236
Phase Preclinical
Structure Type MOL
InChI Key FYADDZCEHJLRQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
5.36
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.48
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24F4N4O2
MW 500.50
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
32063403 10.1016/j.bmc.2020.115354 Protein smoothened 1

Data from ChEMBL 36 via Core Engine