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Compound Detail

CHEMBL4639103

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O=C(c1ccccc1Nc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639103
Phase Preclinical
Structure Type MOL
InChI Key SJCXMSPWWXYJRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.4
MW (Da)
5.19
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21F4N3O2
MW 471.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.33

Literature References

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

Data from ChEMBL 36 via Core Engine