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

CHEMBL2234428

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
c1ccc2oc(N3CCCNCC3)nc2c1

Basic Information

ChEMBL ID CHEMBL2234428
Phase Preclinical
Structure Type MOL
InChI Key FFOBGQKLYQWHRP-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
1.63
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.25

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9367-5 Aspergillus niger 2
- 10.1007/s00044-010-9367-5 Saccharomyces cerevisiae 2
- 10.1007/s00044-010-9367-5 Candida albicans 2
- 10.1007/s00044-010-9367-5 Rhizopus arrhizus 2
- 10.1007/s00044-010-9353-y SW480 1
- 10.1007/s00044-010-9353-y A549 1
- 10.1007/s00044-010-9353-y MCF7 1
- 10.1007/s00044-010-9353-y HeLa 1
- 10.1007/s00044-010-9367-5 Staphylococcus epidermidis 1
- 10.1007/s00044-010-9367-5 Staphylococcus aureus 1
- 10.1007/s00044-010-9367-5 Bacillus subtilis 1
- 10.1007/s00044-010-9367-5 Klebsiella pneumoniae 1
- 10.1007/s00044-010-9367-5 Pseudomonas aeruginosa 1
- 10.1007/s00044-010-9367-5 Escherichia coli 1

Data from ChEMBL 36 via Core Engine