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

CHEMBL1823822

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
O=C(OCc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823822
Phase Preclinical
Structure Type MOL
InChI Key NFOSARGAZHQWJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.80
ALogP
6
HBA
0
HBD
81.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O3
MW 414.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
21803580 10.1016/j.bmcl.2011.07.031 Shh Light II 1
21803580 10.1016/j.bmcl.2011.07.031 Protein smoothened 1

Data from ChEMBL 36 via Core Engine