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Compound Detail

CHEMBL4855016

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FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccoc4)cn3)ncc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4855016
Phase Preclinical
Structure Type MOL
InChI Key YUDMMRRZXOZNCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.8
MW (Da)
6.29
ALogP
6
HBA
2
HBD
75.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13ClF3N5O
MW 431.81
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
34374541 10.1021/acs.jmedchem.1c00104 Dipeptidyl peptidase 1 3
34374541 10.1021/acs.jmedchem.1c00104 L02 1
35429909 10.1016/j.ejmech.2022.114368 Dipeptidyl peptidase 1 1

Data from ChEMBL 36 via Core Engine