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Compound Detail

CHEMBL3233552

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N#C[C@@H]1CCCN1C(=O)Cn1cc(CCC(=O)N2Cc3ccccc3C2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233552
Phase Preclinical
Structure Type MOL
InChI Key KXWJQHHCYYJBCT-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.27
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.78
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 C20H22N6O2
MW 378.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
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 Unchecked 1
24617858 10.1021/jm500031w Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine