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

CHEMBL4169933

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
COC1=C[C@]23CCCN2C(=O)c2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@](O)(CCC(C)(C)O)CC(=O)O)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169933
Phase Preclinical
Structure Type MOL
InChI Key VCOWFXBZEZYADK-YTFNCPKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
1.70
ALogP
9
HBA
3
HBD
152.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31NO10
MW 517.53
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 1.78

Literature References

PubMed DOI Target Context # Activities
29286665 10.1021/acs.jnatprod.7b00541 HL-60 1

Data from ChEMBL 36 via Core Engine