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Compound Detail

CHEMBL4792487

LY-3475070
Phase I
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Phase I
Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4792487
Name LY-3475070
Phase Phase I
Structure Type MOL
InChI Key WHRUIISQCORGKK-KOLCDFICSA-N

Known Names

Ly 3475070 Ly-3475070 LY3475070
2
Targets
15
Activities
2
Assay Types
0
PK Parameters
4
Publications
3
Known Names
1
Indications

Molecular Properties

286.3
MW (Da)
1.59
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C15H18N4O2
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.27

Indications

Neoplasms

Activity Summary

IC50 14 meas. best 8.18
EC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5'-nucleotidase
CHEMBL5957
 IC50 8.18 7.48 6.6 12
Unchecked
CHEMBL612545
 IC50 7.4 7.085 40.0 2
5'-nucleotidase
CHEMBL5957
 EC50 6.67 6.67 213.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5'-nucleotidase IC50 = 6.6 nM 8.18 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 7.3 nM 8.14 Inhibition of CD73 in human Calu-6 cells using AMP as substrate incubated for 60... 32786396
5'-nucleotidase IC50 = 8.3 nM 8.08 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 8.8 nM 8.06 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 20.0 nM 7.7 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 28.0 nM 7.55 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 28.0 nM 7.55 Inhibition of CD73 (unknown origin) 38748913
5'-nucleotidase IC50 = 28.0 nM 7.55 Inhibition of CD73 (unknown origin) preincubated for 15 mins followed by AMP add... 38748913
Unchecked IC50 = 40.0 nM 7.4 Inhibition of CD73 in human MDA-MB-231 cells using AMP substrate measured after ... 38809692
5'-nucleotidase IC50 = 63.0 nM 7.2 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 151.0 nM 6.82 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
Unchecked IC50 = 170.0 nM 6.77 Inhibition of recombinant human CD73 expressed in Escherichia coli using AMP as ... 38809692
5'-nucleotidase EC50 = 213.0 nM 6.67 Inhibition of CD73 in human serum using 13C5-15N5-AMP as substrate preincubated ... 32786396
5'-nucleotidase IC50 = 290.0 nM 6.54 Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in... 32786396
5'-nucleotidase IC50 = 409.0 nM 6.39 Inhibition of human CD73 (1 to 547 residues) expressed in HEK293F cells using 0.... 32786396

Literature References

PubMed DOI Target Context # Activities
32786396 10.1021/acs.jmedchem.0c01044 5'-nucleotidase 11
38748913 10.1021/acs.jmedchem.4c00553 5'-nucleotidase 2
38748913 10.1021/acs.jmedchem.4c00553 CT26 2
38809692 10.1021/acs.jmedchem.4c00825 Unchecked 2

Data from ChEMBL 36 via Core Engine