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

CHEMBL611490

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
OC(COc1ccc(Cl)cc1Cl)CN1CCCC1c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611490
Phase Preclinical
Structure Type MOL
InChI Key WFYFFDGAUXLSKD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.3
MW (Da)
3.97
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20Cl2N2O2
MW 367.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.37

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18211009 10.1021/jm701130z Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine