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Compound Detail

CHEMBL5174217

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FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2-c2ccncc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174217
Phase Preclinical
Structure Type MOL
InChI Key QHTQRAWEYOBHEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.5
MW (Da)
7.17
ALogP
7
HBA
2
HBD
75.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17F3N6S
MW 490.51
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.73

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