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Compound Detail

CHEMBL1823849

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COc1cccc2nc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823849
Phase Preclinical
Structure Type MOL
InChI Key WZADUESWGFADNA-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 -1.91

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