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

CHEMBL4758535

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
COc1cc2nc(N3CCN(C(=O)c4cccc(NC(=O)CCCC(=O)Nc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758535
Phase Preclinical
Structure Type MOL
InChI Key QDTKWEBGQIXHBS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

913.0
MW (Da)
4.44
ALogP
16
HBA
4
HBD
245.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H52N12O8
MW 913.01
Aromatic Rings 6
Heavy Atoms 67
NP-Likeness -0.73

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
32828423 10.1016/j.bmc.2020.115656 U-251 2
32828423 10.1016/j.bmc.2020.115656 Unchecked 1

Data from ChEMBL 36 via Core Engine