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Compound Detail

CHEMBL3728757

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O=C(O)c1ccccc1-c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12

Basic Information

ChEMBL ID CHEMBL3728757
Phase Preclinical
Structure Type MOL
InChI Key QCGYJIWVJKJCCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
3.38
ALogP
6
HBA
4
HBD
128.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H12O7
MW 364.31
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.83

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2
CHEMBL3883319
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine