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Compound Detail

CHEMBL352308

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COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCCNCCO

Basic Information

ChEMBL ID CHEMBL352308
Phase Preclinical
Structure Type MOL
InChI Key VQCDZFWRGXFUMS-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
6.04
ALogP
7
HBA
3
HBD
84.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N3O4
MW 501.63
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.54

Activity Summary

IC50 8 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 7.16 7.16 69.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.16 7.08 69.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.16 7.12 69.0 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 7.16 7.11 69.0 2
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15012985 10.1016/j.bmcl.2003.12.019 Rattus norvegicus 2
15012985 10.1016/j.bmcl.2003.12.019 Homo sapiens 2
15012985 10.1016/j.bmcl.2003.12.019 No relevant target 2
15012985 10.1016/j.bmcl.2003.12.019 Epidermal growth factor receptor 2
15012985 10.1016/j.bmcl.2003.12.019 Insulin-like growth factor 1 receptor 2
15012985 10.1016/j.bmcl.2003.12.019 Hepatocyte growth factor receptor 2
15012985 10.1016/j.bmcl.2003.12.019 Fibroblast growth factor receptor 2 1
15012985 10.1016/j.bmcl.2003.12.019 Vascular endothelial growth factor receptor 2 1
15012985 10.1016/j.bmcl.2003.12.019 Platelet-derived growth factor receptor 1
15012985 10.1016/j.bmcl.2003.12.019 Mast/stem cell growth factor receptor Kit 1
23098265 10.1021/jm301085w Platelet-derived growth factor receptor beta 1
23098265 10.1021/jm301085w Mast/stem cell growth factor receptor Kit 1
23098265 10.1021/jm301085w Fibroblast growth factor receptor 2 1
23098265 10.1021/jm301085w Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine