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Compound Detail

CHEMBL361758

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N[C@H](C(=O)N1CCc2ccccc2C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361758
Phase Preclinical
Structure Type MOL
InChI Key MKOHGPTZXZDSJS-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.27
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.91
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 C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 4 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 8 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine