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Compound Detail

CHEMBL5597600

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OC[C@@H](O)CNc1nnc(-c2ccc(C(F)(F)F)cc2O)c2c1C1CCC2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5597600
Phase Preclinical
Structure Type MOL
InChI Key LZTYSNDJORRNEJ-XIVSLSHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
3.39
ALogP
6
HBA
4
HBD
98.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F3N3O3
MW 409.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
39169676 10.1021/acs.jmedchem.4c01341 Unchecked 3

Data from ChEMBL 36 via Core Engine