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

CHEMBL4117166

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
C[n+]1c(/C=C/c2cc3ccccc3[nH]2)cc(N2CCN(CCO)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117166
Phase Preclinical
Structure Type MOL
InChI Key ZRXKDIZEUDGBQF-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
3.43
ALogP
3
HBA
2
HBD
46.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N4O+
MW 413.55
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine