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

CHEMBL5091280

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
Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5091280
Phase Preclinical
Structure Type MOL
InChI Key LUALIIOYQYTDHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
4.45
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N5O
MW 417.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
34957834 10.1021/acs.jmedchem.1c01746 Nuclear receptor ROR-gamma 3
34957834 10.1021/acs.jmedchem.1c01746 Dihydroorotate dehydrogenase (quinone), mitochondrial 2

Data from ChEMBL 36 via Core Engine