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Compound Detail

CHEMBL5184805

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FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2-c2cccc(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184805
Phase Preclinical
Structure Type MOL
InChI Key QPRJQHAZDRLXSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

524.0
MW (Da)
8.43
ALogP
6
HBA
2
HBD
62.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H17ClF3N5S
MW 523.97
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
35429909 10.1016/j.ejmech.2022.114368 Dipeptidyl peptidase 1 3

Data from ChEMBL 36 via Core Engine