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Compound Detail

CHEMBL328655

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S=C(C1CCCN1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328655
Phase Preclinical
Structure Type MOL
InChI Key FJGIFFNQVAVZFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

184.3
MW (Da)
1.16
ALogP
2
HBA
1
HBD
15.3
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 C9H16N2S
MW 184.31
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
12270155 10.1016/s0960-894x(02)00603-0 Dipeptidyl peptidase 2 1
12270155 10.1016/s0960-894x(02)00603-0 Dipeptidyl peptidase 4 1
12270155 10.1016/s0960-894x(02)00603-0 Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) 1

Data from ChEMBL 36 via Core Engine