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Compound Detail

CHEMBL87265

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

Basic Information

ChEMBL ID CHEMBL87265
Phase Preclinical
Structure Type MOL
InChI Key YBMIIKPMBYMROG-VQVTYTSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.3
MW (Da)
-0.10
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11N3OS
MW 197.26
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.12

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