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

CHEMBL509987

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
COc1cc(Cc2nc3c(N)ncnc3n2CCCC#CCNCCCCNCC#CCCCn2c(Cc3cc(OC)c(OC)c(OC)c3)nc3c(N)ncnc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL509987
Phase Preclinical
Structure Type MOL
InChI Key ACEHYNFXWGLPBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

875.0
MW (Da)
4.59
ALogP
18
HBA
4
HBD
218.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H58N12O6
MW 875.05
Aromatic Rings 6
Heavy Atoms 64
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
18487051 10.1016/j.bmc.2008.04.070 MCF7 1
18487051 10.1016/j.bmc.2008.04.070 SK-BR-3 1

Data from ChEMBL 36 via Core Engine