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

CHEMBL209680

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
Clc1ccc2c(c1)N=C(N1CCOCC1)c1ccccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209680
Phase Preclinical
Structure Type MOL
InChI Key ISVAZLCELPGTDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
3.81
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O
MW 313.79
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
16854056 10.1021/jm051008s Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine