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Compound Detail

CHEMBL97025

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NCC(=O)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97025
Phase Preclinical
Structure Type MOL
InChI Key SJNAQBNIUKINQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

128.2
MW (Da)
-0.43
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.52
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 C6H12N2O
MW 128.18
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
14584950 10.1021/jm0308803 Dipeptidyl peptidase 4 2
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
14584950 10.1021/jm0308803 Dipeptidyl peptidase 2 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 8 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 9 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 4 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine