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Compound Detail

CHEMBL3616920

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COc1nc(Cn2c(=O)c3c(nc(N4CCNC(=O)C4)n3Cc3ccccc3)n(C)c2=O)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL3616920
Phase Preclinical
Structure Type MOL
InChI Key LLFDGRBHHVEVHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
0.88
ALogP
11
HBA
1
HBD
129.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N8O4
MW 526.56
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.48

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