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Compound Detail

CHEMBL5198107

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CN1CCN(c2ccc(-c3cnc(Nc4ccc(-c5ccsc5)cn4)nc3Nc3cccc(C(F)(F)F)c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198107
Phase Preclinical
Structure Type MOL
InChI Key XYOHWVORCBBKOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

587.7
MW (Da)
7.52
ALogP
8
HBA
2
HBD
69.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28F3N7S
MW 587.67
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.74

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