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Compound Detail

CHEMBL552404

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N#C[C@@H]1CS[C@H]2C[C@@H](NCCc3ccccc3)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL552404
Phase Preclinical
Structure Type MOL
InChI Key BUBCHOHAUHHBIL-MCIONIFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
1.38
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3OS
MW 287.39
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
19482472 10.1016/j.bmcl.2009.05.048 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine