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

CHEMBL4100885

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(NCCN1CCNCC1)Nc1ncccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100885
Phase Preclinical
Structure Type MOL
InChI Key PEZDASZYCADKJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.69
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N5O2
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
28152427 10.1016/j.ejmech.2016.12.057 Peptidyl-prolyl cis-trans isomerase F, mitochondrial 5
28152427 10.1016/j.ejmech.2016.12.057 N2a 4
28152427 10.1016/j.ejmech.2016.12.057 HT-22 1
28152427 10.1016/j.ejmech.2016.12.057 No relevant target 1
28152427 10.1016/j.ejmech.2016.12.057 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine