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Compound Detail

CHEMBL400230

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N[C@H](C(=O)N1CCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400230
Phase Preclinical
Structure Type MOL
InChI Key IIKGPFWQNZDVEK-FCESLPICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.23
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O2
MW 326.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
17937986 10.1016/j.bmcl.2007.09.090 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine