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

CHEMBL1668786

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
CC[C@H]1CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668786
Phase Preclinical
Structure Type MOL
InChI Key DAXYUDFNWXHGBE-YCBKVTMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.70
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O4
MW 384.48
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28846966 10.1016/j.ejmech.2017.08.026 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine