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Compound Detail

CHEMBL469892

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CC[C@H](C)[C@H](N)C(=O)N1Cc2cccc(C)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469892
Phase Preclinical
Structure Type MOL
InChI Key KMJHOPHIQOKJAB-HZMBPMFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.21
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.89
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 C15H22N2O
MW 246.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
18556198 10.1016/j.bmcl.2008.05.079 Dipeptidyl peptidase 8 1
18556198 10.1016/j.bmcl.2008.05.079 Dipeptidyl peptidase 9 1
18556198 10.1016/j.bmcl.2008.05.079 Dipeptidyl peptidase 4 1
18556198 10.1016/j.bmcl.2008.05.079 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine