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Compound Detail

CHEMBL4643841

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CS(=O)(=O)n1cc2c(n1)CN([C@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@H]1C(F)(F)F)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643841
Phase Preclinical
Structure Type MOL
InChI Key GUBOXFWNNXSQNH-QMCVQRASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.4
MW (Da)
2.07
ALogP
7
HBA
1
HBD
90.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19F5N4O3S
MW 466.43
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
32452679 10.1021/acs.jmedchem.0c00374 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine