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Compound Detail

CHEMBL3983918

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COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.O=C(O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3983918
Phase Preclinical
Structure Type MOL
InChI Key WMIKNCHTXHYPGV-UHFFFAOYSA-N
Parent Compound CHEMBL3990333
Active Moiety CHEMBL3990333
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
4.24
ALogP
7
HBA
2
HBD
105.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24F6N6O5
MW 614.50
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.24

Activity Summary

IC50 9 meas. best 9.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.12 7.2233 0.8 3
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.11 8.05 0.8 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.79 8.79 1.6 1
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.53 8.53 3.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.47 6.8 33.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine