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

CHEMBL4633690

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
C[C@]12[C@H](O)CC3=C(CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@@H]2C1=CC(=O)OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4633690
Phase Preclinical
Structure Type MOL
InChI Key KZRYSWFLCQCJGE-ZEAHQUMFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
3.52
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32O4
MW 372.51
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.31

Literature References

PubMed DOI Target Context # Activities
32096998 10.1021/acs.jnatprod.9b01060 HT-29 1
32096998 10.1021/acs.jnatprod.9b01060 MDA-MB-231 1
32096998 10.1021/acs.jnatprod.9b01060 OVCAR-3 1
32096998 10.1021/acs.jnatprod.9b01060 MDA-MB-435 1

Data from ChEMBL 36 via Core Engine