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

CHEMBL1955943

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
CN(CCCCCC(=O)NO)C(=O)/C=C/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1955943
Phase Preclinical
Structure Type MOL
InChI Key MBHHLWCBKWECMU-BKKXBQFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.78
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O3
MW 316.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
22326398 10.1016/j.bmcl.2012.01.072 Trypanosoma brucei 1
22326398 10.1016/j.bmcl.2012.01.072 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine