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Compound Detail

CHEMBL4471098

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Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471098
Phase Preclinical
Structure Type MOL
InChI Key KPCWWZLBHGSXPW-JKSUJKDBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
1.49
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O7
MW 318.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 2.34

Activity Summary

IC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Synaptojanin-2
CHEMBL4523129
 IC50 5.66 5.66 2190.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Synaptojanin-2 IC50 = 2190.0 nM 5.66 Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... -
Synaptojanin-2 IC50 = 2190.0 nM 5.66 Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... -

Data from ChEMBL 36 via Core Engine