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

CHEMBL1823851

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
COc1ccc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823851
Phase Preclinical
Structure Type MOL
InChI Key YOCHUUKSZRQQCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.9
MW (Da)
5.36
ALogP
6
HBA
1
HBD
93.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClN5O3
MW 463.93
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
21803580 10.1016/j.bmcl.2011.07.031 Protein smoothened 2

Data from ChEMBL 36 via Core Engine