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Compound Detail

CHEMBL3233574

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COc1ccc(-c2nc3c(C(=O)NCC(=O)N4CCC[C@H]4C#N)ccnc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233574
Phase Preclinical
Structure Type MOL
InChI Key KNEATCQGGFDGRB-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
1.88
ALogP
6
HBA
2
HBD
124.0
PSA (Ų)
0.67
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 C21H20N6O3
MW 404.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.13

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