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Compound Detail

CHEMBL150894

CEP-5214
Phase I
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Phase I
CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150894
Name CEP-5214
Phase Phase I
Structure Type MOL
InChI Key MLIFNJABMANKEU-UHFFFAOYSA-N

Known Names

Cep-5214 CEP5214
8
Targets
8
Activities
1
Assay Types
1
PK Parameters
20
Publications
2
Known Names
1
Mechanisms

Molecular Properties

440.5
MW (Da)
4.92
ALogP
4
HBA
2
HBD
63.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C28H28N2O3
MW 440.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.04

Mechanism of Action

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

Activity Summary

IC50 8 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 8.8 8.8 1.6 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 IC50 8.4 8.4 4.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.1 8.1 8.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 IC50 7.8 7.8 16.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 7.24 7.24 57.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.79 6.79 162.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 6.39 6.39 406.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
 IC50 6.35 6.35 448.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 226.99 nM Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 1.6 nM 8.8 Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase... 14640546
Vascular endothelial growth factor receptor 3 IC50 = 4.0 nM 8.4 Inhibition of Vascular endothelial growth factor receptor 3 14640546
Vascular endothelial growth factor receptor 2 IC50 = 8.0 nM 8.1 Inhibition of human Vascular endothelial growth factor receptor 2 14640546
Vascular endothelial growth factor receptor 1 IC50 = 16.0 nM 7.8 Inhibition of Vascular endothelial growth factor receptor 1 14640546
Mast/stem cell growth factor receptor Kit IC50 = 57.0 nM 7.24 Inhibition of Proto-oncogene tyrosine-protein kinase Kit 14640546
Fibroblast growth factor receptor 1 IC50 = 162.0 nM 6.79 Inhibition of Fibroblast growth factor receptor 1 14640546
Platelet-derived growth factor receptor beta IC50 = 406.0 nM 6.39 Inhibition of Platelet-derived growth factor receptor beta 14640546
Mitogen-activated protein kinase 8 IC50 = 448.0 nM 6.35 Inhibition of c-Jun N-terminal kinase 1-beta 1 14640546

Literature References

PubMed DOI Target Context # Activities
14640546 10.1021/jm0301641 Vascular endothelial growth factor receptor 5
14640546 10.1021/jm0301641 Mus musculus 3
14640546 10.1021/jm0301641 Vascular endothelial growth factor receptor 2 3
14640546 10.1021/jm0301641 High affinity nerve growth factor receptor 1
22148921 10.1021/jm201449n Angiopoietin-1 receptor 1
14640546 10.1021/jm0301641 Mitogen-activated protein kinase 14 1
14640546 10.1021/jm0301641 Protein kinase C, PKC; classical 1
14640546 10.1021/jm0301641 Cyclin-dependent kinase 1/cyclin B 1
14640546 10.1021/jm0301641 Serine/threonine-protein kinase Chk2 1
14640546 10.1021/jm0301641 Serine/threonine-protein kinase Chk1 1
14640546 10.1021/jm0301641 Mitogen-activated protein kinase 8 1
14640546 10.1021/jm0301641 Insulin receptor 1
14640546 10.1021/jm0301641 Mast/stem cell growth factor receptor Kit 1
14640546 10.1021/jm0301641 Platelet-derived growth factor receptor beta 1
14640546 10.1021/jm0301641 Fibroblast growth factor receptor 1 1
14640546 10.1021/jm0301641 Receptor-type tyrosine-protein kinase FLT3 1
14640546 10.1021/jm0301641 Angiopoietin-1 receptor 1
14640546 10.1021/jm0301641 Vascular endothelial growth factor receptor 3 1
14640546 10.1021/jm0301641 Vascular endothelial growth factor receptor 1 1
14640546 10.1021/jm0301641 No relevant target 1

Data from ChEMBL 36 via Core Engine