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

CHEMBL2315515

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
CCCN1CCC2(CCN(C(=O)CNC(C)=O)CC2)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2315515
Phase Preclinical
Structure Type MOL
InChI Key MKWLHPWASGCRHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
2.18
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N3O3
MW 359.47
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
23265904 10.1016/j.bmcl.2012.11.075 Acyl-CoA desaturase 1 1

Data from ChEMBL 36 via Core Engine