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

CHEMBL246856

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
OC1(c2ccc(Cl)cc2)CCN(Cc2cc3ccccc3[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246856
Phase Preclinical
Structure Type MOL
InChI Key DUMMVZVWGFDXEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.9
MW (Da)
4.30
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.75
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 C20H21ClN2O
MW 340.85
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
17095222 10.1016/j.bmcl.2006.10.076 D(2) dopamine receptor 2
17095222 10.1016/j.bmcl.2006.10.076 D(3) dopamine receptor 2
17095222 10.1016/j.bmcl.2006.10.076 D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine