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

CHEMBL3326879

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
CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/C(=O)O)O[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326879
Phase Preclinical
Structure Type MOL
InChI Key SPJBXWLUCQGFSA-OGGYWXJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
2.77
ALogP
5
HBA
2
HBD
101.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H31NO6
MW 393.48
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.16

Literature References

PubMed DOI Target Context # Activities
25098528 10.1021/np500342m NCI-N87 1
25098528 10.1021/np500342m BT-474 1
25098528 10.1021/np500342m NON-PROTEIN TARGET 1
25098528 10.1021/np500342m NCI-H1975 1
25098528 10.1021/np500342m MDA-MB-468 1

Data from ChEMBL 36 via Core Engine