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Compound Detail

CHEMBL478737

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N#C[C@]1(NC(=O)[C@H](N)Cc2cccs2)C[C@H]1c1ccccc1.O=C(O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL478737
Phase Preclinical
Structure Type MOL
InChI Key HSOZEOMYHDEMKF-FFMLRVAQSA-N
Parent Compound CHEMBL1186795
Active Moiety CHEMBL1186795
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.18
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F3N3O3S
MW 425.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
17535802 10.1074/jbc.m702615200 Dipeptidyl peptidase 1 2
17535802 10.1074/jbc.m702615200 Cathepsin G 2
17535802 10.1074/jbc.m702615200 Neutrophil elastase 2
17535802 10.1074/jbc.m702615200 Cathepsin B 1
17535802 10.1074/jbc.m702615200 Procathepsin L 1
17535802 10.1074/jbc.m702615200 Pro-cathepsin H 1
17535802 10.1074/jbc.m702615200 Cathepsin S 1
17535802 10.1074/jbc.m702615200 U-937 1
17535802 10.1074/jbc.m702615200 Myeloblastin 1

Data from ChEMBL 36 via Core Engine