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Compound Detail

CHEMBL211708

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c1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)[nH]nc2c1

Basic Information

ChEMBL ID CHEMBL211708
Phase Preclinical
Structure Type MOL
InChI Key RADDUEWPZUIFNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.94
ALogP
4
HBA
2
HBD
69.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O
MW 319.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 830.0 nM 6.08 Inhibition of FGFR1 16603352

Literature References

PubMed DOI Target Context # Activities
16603352 10.1016/j.bmcl.2006.03.069 HMEC 1
16603352 10.1016/j.bmcl.2006.03.069 Fibroblast growth factor receptor 1 1
16603352 10.1016/j.bmcl.2006.03.069 Platelet-derived growth factor receptor beta 1
16603352 10.1016/j.bmcl.2006.03.069 Vascular endothelial growth factor receptor 1 1
16603352 10.1016/j.bmcl.2006.03.069 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine