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

CHEMBL50675

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)C1C(c2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC2CCC1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50675
Phase Preclinical
Structure Type MOL
InChI Key VAOSRYXOQDMAAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.00
ALogP
5
HBA
0
HBD
72.7
PSA (Ų)
0.46
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 C22H24N2O4
MW 380.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
10969967 10.1016/s0960-894x(00)00317-6 Sodium-dependent serotonin transporter 1
10969967 10.1016/s0960-894x(00)00317-6 Sodium-dependent dopamine transporter 1
10969967 10.1016/s0960-894x(00)00317-6 Norepinephrine transporter 1
10969967 10.1016/s0960-894x(00)00317-6 Monoamine transporters; serotonin & dopamine 1

Data from ChEMBL 36 via Core Engine