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Compound Detail

CHEMBL4540469

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CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2C(=O)N[C@@H](C)C(=O)OC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540469
Phase Preclinical
Structure Type MOL
InChI Key HCWXKXRLVCSLEZ-PKOBYXMFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
0.30
ALogP
9
HBA
2
HBD
128.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N5O5
MW 481.55
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
30642693 10.1016/j.bmc.2019.01.001 Dipeptidyl peptidase 4 3

Data from ChEMBL 36 via Core Engine