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Compound Detail

CHEMBL4575159

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CC1(C)O[C@@]2(C)CC[C@@H]1CC2OC1OC(CO)C(O)C(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4575159
Phase Preclinical
Structure Type MOL
InChI Key NWZYTZHMCGWGOF-HLIZFUEWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
-0.46
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H28O7
MW 332.39
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 3.04

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Synaptojanin-2
CHEMBL4523129
 IC50 5.7 5.7 1980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Synaptojanin-2 IC50 = 1980.0 nM 5.7 Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... -

Data from ChEMBL 36 via Core Engine