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Compound Detail

CHEMBL1236107

SGX-523
Phase I
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Phase I
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1236107
Name SGX-523
Phase Phase I
Structure Type MOL
InChI Key BCZUAADEACICHN-UHFFFAOYSA-N

Known Names

Sgx-523 SGX523
13
Targets
27
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

359.4
MW (Da)
3.22
ALogP
8
HBA
0
HBD
73.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product Chemical Probe

Extended Properties

Molecular Formula C18H13N7S
MW 359.42
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -2.79

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Hepatocyte growth factor receptor inhibitor INHIBITOR Hepatocyte growth factor receptor ✓ ✓

Indications

Neoplasms

Activity Summary

IC50 16 meas. best 8.51
Kd 11 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 Kd 9.72 9.0733 0.2 3
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.51 6.29 3.1 8
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.41 7.912 3.9 5
NCI-H1993
CHEMBL1075527
 IC50 7.6 7.6 25.0 1
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
 Kd 6.91 6.91 124.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 Kd 6.11 6.11 780.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 Kd 5.75 5.75 1800.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
 Kd 5.72 5.72 1900.0 1
Phosphodiesterase 3
CHEMBL2094125
 IC50 5.52 5.52 3000.0 1
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
CHEMBL1770034
 Kd 5.48 5.48 3300.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
 Kd 5.47 5.47 3400.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
 Kd 5.38 5.38 4200.0 1
Mitogen-activated protein kinase kinase kinase 19
CHEMBL6191
 Kd 5.19 5.19 6400.0 1
Unchecked
CHEMBL612545
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor Kd = 0.19 nM 9.72 Binding constant for MET kinase domain 22037378
Hepatocyte growth factor receptor Kd = 0.82 nM 9.09 Binding constant for MET(M1250T) kinase domain 22037378
Hepatocyte growth factor receptor IC50 = 3.1 nM 8.51 Inhibition of c-Met (unknown origin) incubated for 1 hr by spectrophotometric an... 27288183
NON-PROTEIN TARGET IC50 = 3.9 nM 8.41 Cytotoxicity against human SNU5 cells assessed as reduction in cell survival inc... 27288183
Hepatocyte growth factor receptor Kd = 3.9 nM 8.41 Binding constant for MET(Y1235D) kinase domain 22037378
Hepatocyte growth factor receptor IC50 = 4.0 nM 8.4 Inhibition of c-Met (unknown origin) 26717201
Hepatocyte growth factor receptor IC50 = 4.0 nM 8.4 Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 ... 26005523
NON-PROTEIN TARGET IC50 = 11.0 nM 7.96 Cytotoxicity against human MHCC97H cells assessed as reduction in cell survival ... 27288183
NON-PROTEIN TARGET IC50 = 15.0 nM 7.82 Cytotoxicity against human MKN45 cells assessed as reduction in cell survival in... 27288183
NON-PROTEIN TARGET IC50 = 18.0 nM 7.75 Cytotoxicity against human MHCC97L cells assessed as reduction in cell survival ... 27288183
NON-PROTEIN TARGET IC50 = 24.0 nM 7.62 Cytotoxicity against human HCCLM3 cells assessed as reduction in cell survival i... 27288183
NCI-H1993 IC50 = 25.0 nM 7.6 Cytotoxicity against human NCI-H1993 cells assessed as reduction in cell surviva... 27288183
Ribosyldihydronicotinamide dehydrogenase [quinone] Kd = 124.0 nM 6.91 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Kd = 780.0 nM 6.11 Binding constant for DYRK1A kinase domain 22037378
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Kd = 1800.0 nM 5.75 Binding constant for DYRK1B kinase domain 22037378
Mitogen-activated protein kinase 10 Kd = 1900.0 nM 5.72 Binding constant for JNK3 kinase domain 22037378
Phosphodiesterase 3 IC50 = 3000.0 nM 5.52 Scintillation Proximity Assay (SPA): The kinase assay is based on the LanthaScre... -
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma Kd = 3300.0 nM 5.48 Binding constant for PIP5K2C kinase domain 22037378
Tyrosine-protein kinase ABL1 Kd = 3400.0 nM 5.47 Binding constant for ABL1(H396P)-non phosphorylated kinase domain 22037378
Mitogen-activated protein kinase 8 Kd = 4200.0 nM 5.38 Binding constant for JNK1 kinase domain 22037378

Literature References

PubMed DOI Target Context # Activities
22037378 10.1038/nbt.1990 Tyrosine-protein kinase ABL1 15
22037378 10.1038/nbt.1990 Epidermal growth factor receptor 12
22037378 10.1038/nbt.1990 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
22037378 10.1038/nbt.1990 Mast/stem cell growth factor receptor Kit 8
26254279 10.18632/oncotarget.4214 Hepatocyte growth factor receptor 8
- 10.6019/CHEMBL5724696 U2OS 8
22037378 10.1038/nbt.1990 Receptor-type tyrosine-protein kinase FLT3 7
27288183 10.1016/j.bmc.2016.05.057 NON-PROTEIN TARGET 7
29191878 10.1126/science.aan4368 Unchecked 5
22037378 10.1038/nbt.1990 Proto-oncogene tyrosine-protein kinase receptor Ret 4
27288183 10.1016/j.bmc.2016.05.057 Hepatocyte growth factor receptor 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
22037378 10.1038/nbt.1990 Hepatocyte growth factor receptor 3
22037378 10.1038/nbt.1990 Ribosomal protein S6 kinase alpha-6 2
22037378 10.1038/nbt.1990 Non-receptor tyrosine-protein kinase TYK2 2
22037378 10.1038/nbt.1990 Ribosomal protein S6 kinase alpha-5 2
22037378 10.1038/nbt.1990 Ribosomal protein S6 kinase alpha-4 2
22037378 10.1038/nbt.1990 Serine/threonine-protein kinase B-raf 2
22037378 10.1038/nbt.1990 Tyrosine-protein kinase JAK1 2
22037378 10.1038/nbt.1990 Fibroblast growth factor receptor 3 2

Data from ChEMBL 36 via Core Engine