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Compound Detail

CHEMBL3897858

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COc1cc(F)cc(N(CCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3897858
Phase Preclinical
Structure Type MOL
InChI Key BTNQULFFKVGNOL-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
2.76
ALogP
8
HBA
2
HBD
96.5
PSA (Ų)
0.45
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 C22H22FN5O3
MW 423.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.62

Activity Summary

IC50 6 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.42 7.3967 3.8 3
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.82 6.08 151.4 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine