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Compound Detail

CHEMBL188978

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CCN(CC)CCCCNc1cc2nc(N)c(-c3cc(OC)cc(OC)c3)cc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188978
Phase Preclinical
Structure Type MOL
InChI Key CWWGWUITOJWIQB-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

423.6
MW (Da)
4.43
ALogP
7
HBA
2
HBD
85.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33N5O2
MW 423.56
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.79

Activity Summary

IC50 7 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 7.34 7.2 46.0 2
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 6.89 5.905 130.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.66 6.66 220.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 5.23 5.23 5900.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 46.0 nM 7.34 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... 16000000
Fibroblast growth factor receptor 1 IC50 = 87.0 nM 7.06 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human fibrob... 16000000
Fibroblast growth factor receptor IC50 = 130.0 nM 6.89 Inhibition of FGF-dependent human umbilical vein endothelial cell proliferation 16000000
Vascular endothelial growth factor receptor 2 IC50 = 220.0 nM 6.66 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... 16000000
Platelet-derived growth factor receptor (PDGFr) IC50 = 5900.0 nM 5.23 Inhibition of PDGF-dependent rat glioma cell proliferation 16000000
Fibroblast growth factor receptor IC50 = 12000.0 nM 4.92 Inhibition of human FGF receptor expressing ovarian carcinoma cell proliferation... 16000000
Proto-oncogene tyrosine-protein kinase Src IC50 = 26000.0 nM 4.58 Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by avian c-Src ... 16000000

Literature References

PubMed DOI Target Context # Activities
16000000 10.1021/jm0500931 Fibroblast growth factor receptor 1 2
16000000 10.1021/jm0500931 Fibroblast growth factor receptor 2
16000000 10.1021/jm0500931 Vascular endothelial growth factor receptor 2 1
16000000 10.1021/jm0500931 Platelet-derived growth factor receptor beta 1
16000000 10.1021/jm0500931 Proto-oncogene tyrosine-protein kinase Src 1
16000000 10.1021/jm0500931 Platelet-derived growth factor receptor (PDGFr) 1

Data from ChEMBL 36 via Core Engine