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

CHEMBL394089

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)[C@@H]1CCCC[C@@H]1c1ccc(C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394089
Phase Preclinical
Structure Type MOL
InChI Key NWZPRTYDJDHZJI-HZPDHXFCSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
4.43
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26O2
MW 274.40
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.04

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
17446076 10.1016/j.bmc.2007.03.069 Sodium-dependent dopamine transporter 1
17446076 10.1016/j.bmc.2007.03.069 Sodium-dependent serotonin transporter 1
17446076 10.1016/j.bmc.2007.03.069 Sodium-dependent noradrenaline transporter 1

Data from ChEMBL 36 via Core Engine