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

CHEMBL3288847

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
CCN(CC)CCC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288847
Phase Preclinical
Structure Type MOL
InChI Key VAMSRVIXUWPRKL-ATVHPVEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.93
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.62
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 C22H27FN4O2
MW 398.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
24904961 10.1016/j.ejmech.2014.05.051 Aorta 2
24904961 10.1016/j.ejmech.2014.05.051 Mus musculus 2
24904961 10.1016/j.ejmech.2014.05.051 HT-29 1

Data from ChEMBL 36 via Core Engine