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

CHEMBL4104798

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
CC1=C2[C@H](/C=C(\C)C(=O)NCCc3ccccn3)CC[C@@H](C)[C@H]2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4104798
Phase Preclinical
Structure Type MOL
InChI Key GGLYYGLRTMUIDR-YMIIJLGTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
4.46
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.64
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 C22H30N2O
MW 338.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
28558967 10.1016/j.bmcl.2017.05.021 Keratinocyte 4
28558967 10.1016/j.bmcl.2017.05.021 PBMC 1

Data from ChEMBL 36 via Core Engine