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Compound Detail

CHEMBL5274430

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CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)CC(N)=O)N=C(c2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274430
Phase Preclinical
Structure Type MOL
InChI Key JQXAWAOPZPXNFF-FOIQADDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
2.78
ALogP
4
HBA
2
HBD
104.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F3N4O3
MW 460.46
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
37196868 10.1016/j.bmcl.2023.129328 Cryptosporidium parvum 2

Data from ChEMBL 36 via Core Engine