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Compound Detail

CHEMBL397052

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N[C@@H](CCO)C(=O)N1CC[C@@H]2C[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397052
Phase Preclinical
Structure Type MOL
InChI Key NDUCLGQIVSMFHM-CSMHCCOUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
-0.68
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H16N2O2
MW 184.24
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.71

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