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Compound Detail

CHEMBL5207255

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COc1cc(CCc2cc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]2)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL5207255
Phase Preclinical
Structure Type MOL
InChI Key NYJMVCWYBMPHTD-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
3.59
ALogP
6
HBA
2
HBD
88.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O3
MW 433.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

IC50 5 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 9.04 9.04 0.9 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.42 8.42 3.8 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.26 8.26 5.5 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.28 7.28 53.1 1
SNU-16
CHEMBL613529
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33199155 10.1016/j.ejmech.2020.112990 Fibroblast growth factor receptor 1 1
33199155 10.1016/j.ejmech.2020.112990 Fibroblast growth factor receptor 2 1
33199155 10.1016/j.ejmech.2020.112990 Fibroblast growth factor receptor 3 1
33199155 10.1016/j.ejmech.2020.112990 Vascular endothelial growth factor receptor 2 1
33199155 10.1016/j.ejmech.2020.112990 SNU-16 1

Data from ChEMBL 36 via Core Engine