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

CHEMBL58301

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(NCCCCNCCCNC(=O)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58301
Phase Preclinical
Structure Type MOL
InChI Key LMCPFFPDMJWFKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
2.61
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O2
MW 353.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00331-M Trypanothione reductase 1
16563762 10.1016/j.bmcl.2006.03.015 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine