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Compound Detail

CHEMBL381867

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N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1COCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381867
Phase Preclinical
Structure Type MOL
InChI Key FNEAEWIAOSSBDK-UIOOFZCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
4.43
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O2
MW 414.55
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
16236500 10.1016/j.bmcl.2005.09.037 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine