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Compound Detail

CHEMBL210576

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NCCCCN(CCCN)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210576
Phase Preclinical
Structure Type MOL
InChI Key BFURQINQUKOEFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.4
MW (Da)
1.58
ALogP
3
HBA
2
HBD
55.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H25N3
MW 235.38
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
16563762 10.1016/j.bmcl.2006.03.015 Glutamate NMDA receptor 1
28886510 10.1016/j.ejmech.2017.08.014 Trypanothione reductase 1

Data from ChEMBL 36 via Core Engine