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Compound Detail

CHEMBL3616914

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Cn1c(N2CCNC(=O)C2)nc2c1c(=O)[nH]c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3616914
Phase Preclinical
Structure Type MOL
InChI Key RPESRISFHLQVAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
-2.10
ALogP
7
HBA
2
HBD
105.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N6O3
MW 278.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00167B Prolyl endopeptidase FAP 1
- 10.1039/C4MD00167B Dipeptidyl peptidase 4 1
- 10.1039/C4MD00167B Prolyl endopeptidase 1
- 10.1039/C4MD00167B Dipeptidyl peptidase 9 1
- 10.1039/C4MD00167B Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine