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Compound Detail

CHEMBL395908

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N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]2C[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395908
Phase Preclinical
Structure Type MOL
InChI Key ASGNUXKKQUDEHB-JEZHCXPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
-0.10
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.75
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 C11H16N4O
MW 220.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.09

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