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Compound Detail

CHEMBL146450

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NCC[C@@H](N)C(=O)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146450
Phase Preclinical
Structure Type MOL
InChI Key RKBKYSFKXFKBBM-MRVPVSSYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

185.3
MW (Da)
-0.33
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H19N3O
MW 185.27
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.22

Activity Summary

IC50 1 meas.

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