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Compound Detail

CHEMBL389906

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N#Cc1ccc(S(=O)(=O)N[C@@H]2CN[C@H](C(=O)N3CCSC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389906
Phase Preclinical
Structure Type MOL
InChI Key WGZZFAACLIZCRN-JSGCOSHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
0.10
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.78
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 C15H18N4O3S2
MW 366.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
17113301 10.1016/j.bmc.2006.10.059 Dipeptidyl peptidase 4 2

Data from ChEMBL 36 via Core Engine