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Compound Detail

CHEMBL2012388

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

Basic Information

ChEMBL ID CHEMBL2012388
Phase Preclinical
Structure Type MOL
InChI Key MVMRAQHPXCRRFB-KZQPRWOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.23
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.44
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 C18H26O7
MW 354.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.87

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