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Compound Detail

CHEMBL5202703

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CC(=O)Nc1cccc(-c2cnc(Nc3ccc(-c4ccsc4)cn3)nc2Nc2cccc(C(F)(F)F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202703
Phase Preclinical
Structure Type MOL
InChI Key HSKMGPMYKVEFJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.6
MW (Da)
7.73
ALogP
7
HBA
3
HBD
91.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21F3N6OS
MW 546.58
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.72

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