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Compound Detail

CHEMBL3800132

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CC[C@@H](C)[C@H](N)C(=O)N1Cc2cn[nH]c2C1.O=C(O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3800132
Phase Preclinical
Structure Type MOL
InChI Key JBGKAVICNMPDMD-QJVKKXMWSA-N
Parent Compound CHEMBL3800726
Active Moiety CHEMBL3800726
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
0.63
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19F3N4O3
MW 336.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00454C Dipeptidyl peptidase 8 1
- 10.1039/C5MD00454C Unchecked 1
- 10.1039/C5MD00454C Dipeptidyl peptidase 4 1
- 10.1039/C5MD00454C Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine