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Compound Detail

CHEMBL3939200

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COc1cc(OC)cc(N(CCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl

Basic Information

ChEMBL ID CHEMBL3939200
Phase Preclinical
Structure Type MOL
InChI Key CHNWMSQQHAFKHI-FYZYNONXSA-N
Parent Compound CHEMBL3991230
Active Moiety CHEMBL3991230
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
4.67
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33ClN6O2
MW 509.05
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.39

Activity Summary

IC50 8 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.62 8.62 2.4 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.6 8.16 2.5 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.52 8.135 3.0 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.88 7.88 13.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.13 6.43 74.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine