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

CHEMBL2012385

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@H]1C/C=C/[C@@H](O)[C@@H](O)CCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012385
Phase Preclinical
Structure Type MOL
InChI Key LTVMOWZZAMDTOJ-PLDXLYPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
1.22
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22O7
MW 350.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.52

Literature References

PubMed DOI Target Context # Activities
24900361 10.1021/ml200067t Cyclin-dependent kinase 2/cyclin A 2
24900361 10.1021/ml200067t MAP kinase-interacting serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine