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

CHEMBL4463353

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
CC1(C)Cc2cc(NC(=O)c3cnn4c(O)ccnc34)c(N3CCOCC3)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463353
Phase Preclinical
Structure Type MOL
InChI Key OJCRUMWRMOCSGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.24
ALogP
8
HBA
2
HBD
101.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O4
MW 409.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
31082230 10.1021/acs.jmedchem.9b00439 Interleukin-1 receptor-associated kinase 4 2
31082230 10.1021/acs.jmedchem.9b00439 No relevant target 1

Data from ChEMBL 36 via Core Engine