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Compound Detail

CHEMBL209265

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CN1CCN(Cc2ccc3[nH]c(-c4[nH]nc5ccccc45)nc3c2)CC1

Basic Information

ChEMBL ID CHEMBL209265
Phase Preclinical
Structure Type MOL
InChI Key DLHYZQMLROULHQ-UHFFFAOYSA-N
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.85
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N6
MW 346.44
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.28

Activity Summary

IC50 4 meas. best 6.77
EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.77 6.77 170.0 1
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 6.58 6.58 260.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.57 6.57 270.0 1
HMEC
CHEMBL614734
EC50 6.52 6.52 300.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

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