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Compound Detail

CHEMBL13485

SU-11652
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CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13485
Name SU-11652
Phase Preclinical
Structure Type MOL
InChI Key XPLJEFSRINKZLC-ATVHPVEESA-N
9
Targets
16
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
3.85
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN4O2
MW 414.94
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.12

Activity Summary

IC50 16 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 8.52 8.52 3.0 2
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 8.0 8.0 10.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.57 6.8867 27.0 3
Unchecked
CHEMBL612545
 IC50 7.3 6.41 50.0 2
Platelet-derived growth factor receptor
CHEMBL2096980
 IC50 7.0 7.0 100.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.77 6.77 170.0 2
Maternal embryonic leucine zipper kinase
CHEMBL4578
 IC50 6.12 6.12 760.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 5.52 5.52 3000.0 1
Serine/threonine-protein kinase Nek2
CHEMBL3835
 IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 3.0 nM 8.52 Inhibition of Platelet-derived growth factor receptor beta (PDGF-Rbeta) 12646019
Platelet-derived growth factor receptor beta IC50 = 3.0 nM 8.52 Inhibition of PDGFRbeta 18077363
Mast/stem cell growth factor receptor Kit IC50 = 10.0 nM 8.0 Inhibition of c-kit 18077363
Vascular endothelial growth factor receptor 2 IC50 = 27.0 nM 7.57 Inhibition of Vascular endothelial growth factor receptor 2 12646019
Vascular endothelial growth factor receptor 2 IC50 = 27.0 nM 7.57 Inhibition of VEGFR2 18077363
Unchecked IC50 = 50.0 nM 7.3 Inhibition of Vascular endothelial growth factor receptor in 3T3 cells 12646019
Platelet-derived growth factor receptor IC50 = 100.0 nM 7.0 Inhibition of Platelet-derived growth factor induced 3T3 cell proliferation 12646019
Fibroblast growth factor receptor 1 IC50 = 170.0 nM 6.77 Inhibition of Fibroblast growth factor receptor 1 12646019
Fibroblast growth factor receptor 1 IC50 = 170.0 nM 6.77 Inhibition of FGFR1 18077363
Maternal embryonic leucine zipper kinase IC50 = 760.0 nM 6.12 Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown ori... 28351607
Maternal embryonic leucine zipper kinase IC50 = 760.0 nM 6.12 MELK Inhibitor Library Screening assay: MELK and its substrate, Bcl-G were both ... -
Vascular endothelial growth factor receptor 2 IC50 = 3000.0 nM 5.52 Inhibition of VEGFR2 17197699
Unchecked IC50 = 3000.0 nM 5.52 Inhibition of FGFR 17197699
Epidermal growth factor receptor IC50 = 3000.0 nM 5.52 Inhibition of EGFR 17197699
Serine/threonine-protein kinase Nek2 IC50 = 8000.0 nM 5.1 Inhibition of human recombinant Nek2 T175A mutant by coupled pyruvate kinase/lac... 17197699

Literature References

PubMed DOI Target Context # Activities
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Fyn 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
16565716 10.1038/nchembio778 Vascular endothelial growth factor receptor 2 2
23398362 10.1042/bj20121418 Calcium/calmodulin-dependent protein kinase type 1D 2
23398362 10.1042/bj20121418 Fibroblast growth factor receptor 3 2
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
23398362 10.1042/bj20121418 Casein kinase I isoform delta 2
23398362 10.1042/bj20121418 Cyclin-dependent kinase 2/cyclin A 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 5 2
12646019 10.1021/jm0204183 Platelet-derived growth factor receptor 2
23398362 10.1042/bj20121418 Mitogen-activated protein kinase 10 2

Data from ChEMBL 36 via Core Engine