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Compound Detail

CHEMBL5590559

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N#CCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3c2C2CCC3C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590559
Phase Preclinical
Structure Type MOL
InChI Key BCGQHMZCSOWDEQ-ZBCRRDGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
4.63
ALogP
6
HBA
2
HBD
85.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F3N5O
MW 443.47
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine