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

CHEMBL372898

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
COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H]([C@](C)(O)CO)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372898
Phase Preclinical
Structure Type MOL
InChI Key GQURDLOQVKSMMA-AUUYWEPGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
1.71
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O7
MW 358.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 2.13

Literature References

PubMed DOI Target Context # Activities
15828838 10.1021/jm049299c COLO 320 1
15828838 10.1021/jm049299c NCI-H522 1
15828838 10.1021/jm049299c HT-29 1
15828838 10.1021/jm049299c MIA PaCa-2 1
15828838 10.1021/jm049299c HeLa 1
15828838 10.1021/jm049299c HepG2 1

Data from ChEMBL 36 via Core Engine