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Compound Detail

CHEMBL6043032

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COc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)c(Cl)c3n2)c1

Basic Information

ChEMBL ID CHEMBL6043032
Phase Preclinical
Structure Type MOL
InChI Key MXSDIGYURCYKOV-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
4.22
ALogP
8
HBA
1
HBD
85.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24ClN5O3
MW 453.93
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.06

Activity Summary

IC50 5 meas. best 9.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 9.9 9.9 0.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.3 9.3 0.5 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.1 9.1 0.8 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.7 8.7 2.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine