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Compound Detail

CHEMBL2012396

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COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@@H](O)[C@@H](O)CC/C=C/2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012396
Phase Preclinical
Structure Type MOL
InChI Key SGAPQINNJDWPIZ-WWUCXIMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.65
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O6
MW 350.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.80

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