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

CHEMBL236473

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
COC(=O)C1=C(c2cccc([N+](=O)[O-])c2)C2CCC1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236473
Phase Preclinical
Structure Type MOL
InChI Key KTBNOMBPBJJANJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
1.66
ALogP
5
HBA
1
HBD
81.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O4
MW 274.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.38

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
17517511 10.1016/j.bmc.2007.05.015 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine