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Compound Detail

CHEMBL3233573

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N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233573
Phase Preclinical
Structure Type MOL
InChI Key AIGXGABJOMVELA-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.01
ALogP
5
HBA
2
HBD
114.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FN6O2
MW 392.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
24617858 10.1021/jm500031w Unchecked 2
24617858 10.1021/jm500031w Prolyl endopeptidase FAP 1
24617858 10.1021/jm500031w Prolyl endopeptidase 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 4 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine