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

CHEMBL5429560

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(N[C@H]1C[C@@H]1c1ccccc1)C1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429560
Phase Preclinical
Structure Type MOL
InChI Key JCRCSOGAIZWANE-WFOIPNHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

779.9
MW (Da)
4.07
ALogP
6
HBA
4
HBD
148.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H49N5O6
MW 779.94
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
36174413 10.1016/j.ejmech.2022.114771 Toll-like receptor 2 1

Data from ChEMBL 36 via Core Engine