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Compound Detail

CHEMBL1980391

RG-1530
Phase I
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Phase I
COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1980391
Name RG-1530
Phase Phase I
Structure Type MOL
InChI Key UOVCGJXDGOGOCZ-UHFFFAOYSA-N

Known Names

R-1530 Rg-1530
86
Targets
103
Activities
2
Assay Types
18
PK Parameters
20
Publications
2
Known Names
1
Indications
7
Mechanisms

Molecular Properties

356.8
MW (Da)
4.75
ALogP
4
HBA
2
HBD
62.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C18H14ClFN4O
MW 356.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.94

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Fibroblast growth factor receptor 1 inhibitor INHIBITOR Fibroblast growth factor receptor 1 ✓ ✓
Fibroblast growth factor receptor 2 inhibitor INHIBITOR Fibroblast growth factor receptor 2 ✓ ✓
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR Receptor-type tyrosine-protein kinase FLT3 ✓ ✓
Platelet-derived growth factor receptor beta inhibitor INHIBITOR Platelet-derived growth factor receptor beta ✓ ✓
Vascular endothelial growth factor receptor inhibitor INHIBITOR Vascular endothelial growth factor receptor ✓ ✓
Serine/threonine-protein kinase Aurora-A inhibitor INHIBITOR Aurora kinase A ✓ ✓
Serine/threonine-protein kinase PLK4 inhibitor INHIBITOR Serine/threonine-protein kinase PLK4 ✓ ✓

Indications

Neoplasms

Activity Summary

Ki 85 meas. best 7.96
IC50 18 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK4
CHEMBL3788
 IC50 8.15 8.15 7.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.0 8.0 10.0 2
Serine/threonine-protein kinase PLK4
CHEMBL3788
 Ki 7.96 7.93 11.0 2
Focal adhesion kinase 1
CHEMBL2695
 Ki 7.9 7.9 12.6 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 7.9 7.9 12.6 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Ki 7.9 7.9 12.6 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 7.7 7.7 19.9 1
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
 Ki 7.7 7.7 19.9 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
 IC50 7.62 7.62 24.0 2
Aurora kinase A
CHEMBL4722
 Ki 7.6 7.6 25.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
 Ki 7.6 7.6 25.1 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 7.55 7.55 28.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 Ki 7.5 7.5 31.6 1
Serine/threonine-protein kinase 3
CHEMBL4708
 Ki 7.4 7.4 39.8 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
 Ki 7.4 7.4 39.8 1
Macrophage-stimulating protein receptor
CHEMBL2689
 Ki 7.4 7.4 39.8 1
HUVEC
CHEMBL613979
 IC50 7.31 6.8 49.0 3
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Ki 7.3 7.3 50.1 1
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
 Ki 7.3 7.3 50.1 1
Fibroblast growth factor receptor 1
CHEMBL3650
 Ki 7.3 7.3 50.1 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 Ki 7.3 7.3 50.1 1
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
 Ki 7.3 7.3 50.1 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 Ki 7.3 7.3 50.1 1
Ephrin type-A receptor 2
CHEMBL2068
 Ki 7.3 7.3 50.1 1
Aurora kinase A
CHEMBL4722
 IC50 7.24 7.24 58.0 2
Tyrosine-protein kinase Blk
CHEMBL2250
 Ki 7.2 7.2 63.1 1
Tyrosine-protein kinase JAK3
CHEMBL2148
 Ki 7.1 7.1 79.4 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase FRK
CHEMBL4223
 Ki 7.1 7.1 79.4 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
 Ki 7.1 7.1 79.4 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
 Ki 7.0 7.0 100.0 1
NT-3 growth factor receptor
CHEMBL5608
 Ki 7.0 7.0 100.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
 Ki 6.9 6.9 125.9 1
Leucine-rich repeat serine/threonine-protein kinase 2
CHEMBL1075104
 Ki 6.9 6.9 125.9 1
Tyrosine-protein kinase Fer
CHEMBL3982
 Ki 6.9 6.9 125.9 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
 Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
 Ki 6.9 6.9 125.9 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 Ki 6.9 6.9 125.9 1
Tyrosine-protein kinase SYK
CHEMBL2599
 Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 2
CHEMBL301
 Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 5
CHEMBL4036
 Ki 6.8 6.8 158.5 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
 Ki 6.8 6.8 158.5 1
Tyrosine-protein kinase Lyn
CHEMBL3905
 Ki 6.7 6.7 199.5 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.7 6.7 200.0 6
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 Ki 6.7 6.7 199.5 1
Tyrosine-protein kinase BTK
CHEMBL5251
 Ki 6.7 6.7 199.5 1
Activin receptor type-1
CHEMBL5903
 Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase PAK 1
CHEMBL4600
 Ki 6.5 6.5 316.2 1
Tyrosine-protein kinase Fyn
CHEMBL1841
 Ki 6.5 6.5 316.2 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
 Ki 6.5 6.5 316.2 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 4820.0 ng.hr.mL-1 Macaca mulatta
AUC 86300.0 ng.hr.mL-1 Rattus norvegicus
AUC 46700.0 ng.hr.mL-1 Mus musculus
CL 7.817 mL.min-1.kg-1 Macaca mulatta
CL 8.783 mL.min-1.kg-1 Rattus norvegicus
CL 8.8 mL.min-1.kg-1 Mus musculus
Cmax 1137.92 nM Macaca mulatta
Cmax 15022.84 nM Rattus norvegicus
Cmax 14210.04 nM Mus musculus
F 22.1 % Macaca mulatta
F 88.7 % Rattus norvegicus
F 96.9 % Mus musculus
T1/2 3.83 hr Macaca mulatta
T1/2 4.7 hr Rattus norvegicus
T1/2 4.32 hr Mus musculus
Tmax 4.0 hr Macaca mulatta
Tmax 4.0 hr Rattus norvegicus
Tmax 2.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase PLK4 IC50 = 7.0 nM 8.15 Inhibition of PLK4 (unknown origin) 35576702
Vascular endothelial growth factor receptor 2 IC50 = 10.0 nM 8.0 Inhibition of KDR (unknown origin) 24900658
Vascular endothelial growth factor receptor 2 IC50 = 10.0 nM 8.0 Inhibition of VEGFR2 (unknown origin) 35576702
Serine/threonine-protein kinase PLK4 Ki = 11.0 nM 7.96 Inhibition of human PLK4 23829549
Focal adhesion kinase 1 Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase ROS Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk2 IC50 = 24.0 nM 7.62 Inhibition of CHK2 (unknown origin) 35576702
Serine/threonine-protein kinase Chk2 IC50 = 24.0 nM 7.62 Inhibition of CHK2 (unknown origin) 24900658
Aurora kinase A Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Fibroblast growth factor receptor 3 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Fibroblast growth factor receptor 1 IC50 = 28.0 nM 7.55 Inhibition of FGFR1 (unknown origin) 24900658
Dual specificity tyrosine-phosphorylation-regulated kinase 1B Ki = 31.62 nM 7.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 3 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage-stimulating protein receptor Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
STE20-like serine/threonine-protein kinase Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
HUVEC IC50 = 49.0 nM 7.31 Antiangiogenic activity in HUVEC assessed as inhibition of VEGF-induced cell pro... 24900658

Literature References

PubMed DOI Target Context # Activities
24900658 10.1021/ml300351e Mus musculus 11
24900658 10.1021/ml300351e Rhesus monkey 7
24900658 10.1021/ml300351e Rattus norvegicus 7
24900658 10.1021/ml300351e NON-PROTEIN TARGET 6
24900658 10.1021/ml300351e MDA-MB-231 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
24900658 10.1021/ml300351e HUVEC 3
24900658 10.1021/ml300351e HCT-116 2
24900658 10.1021/ml300351e LoVo 2
24900658 10.1021/ml300351e A549 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
35576702 10.1016/j.ejmech.2022.114424 Serine/threonine-protein kinase PLK4 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
23829549 10.1021/jm400380m Serine/threonine-protein kinase PLK4 1
24900658 10.1021/ml300351e Vascular endothelial growth factor receptor 2 1
24900658 10.1021/ml300351e Fibroblast growth factor receptor 1 1
24900658 10.1021/ml300351e Cyclin-dependent kinase 2 1
24900658 10.1021/ml300351e Cyclin-dependent kinase 4 1
24900658 10.1021/ml300351e Aurora kinase A 1

Data from ChEMBL 36 via Core Engine