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Compound Detail

CHEMBL343907

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O=C(C1CCCS1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343907
Phase Preclinical
Structure Type MOL
InChI Key OKEMCLAFTXGUOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

185.3
MW (Da)
1.50
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15NOS
MW 185.29
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
14584950 10.1021/jm0308803 Dipeptidyl peptidase 4 2
14584950 10.1021/jm0308803 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine