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

CHEMBL5180305

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
COc1cc2ncn(CC(=O)C[C@@H]3CCCCN3)c(=O)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180305
Phase Preclinical
Structure Type MOL
InChI Key BEEQERUPQFCINH-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.51
ALogP
7
HBA
1
HBD
82.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O4
MW 345.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
36394909 10.1021/acs.jmedchem.2c01496 Staphylococcus aureus 4
36394909 10.1021/acs.jmedchem.2c01496 Unchecked 3
36394909 10.1021/acs.jmedchem.2c01496 Escherichia coli 1
36394909 10.1021/acs.jmedchem.2c01496 Shigella flexneri 1
36394909 10.1021/acs.jmedchem.2c01496 Salmonella typhi 1

Data from ChEMBL 36 via Core Engine