Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4520852

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1c1nnn[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4520852
Phase Preclinical
Structure Type MOL
InChI Key YJFHDUZAXVCFIX-AWEZNQCLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.00
ALogP
5
HBA
2
HBD
103.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N6O2
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31857839 10.1021/acsmedchemlett.9b00394 Prolyl endopeptidase 3
34671446 10.1021/acsmedchemlett.1c00399 HEK293 1

Data from ChEMBL 36 via Core Engine