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Compound Detail

CHEMBL5202943

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CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4COC4)nn23)c1

Basic Information

ChEMBL ID CHEMBL5202943
Phase Preclinical
Structure Type MOL
InChI Key KCWGQPNZUSKGQY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
1.93
ALogP
8
HBA
1
HBD
95.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O3
MW 404.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.54

Activity Summary

IC50 3 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.96 8.96 1.1 1
Fibroblast growth factor receptor 3
CHEMBL4066
IC50 7.54 7.54 29.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.15 7.15 71.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36356320 10.1021/acs.jmedchem.2c01366 Fibroblast growth factor receptor 3 2
36356320 10.1021/acs.jmedchem.2c01366 Fibroblast growth factor receptor 1 1
36356320 10.1021/acs.jmedchem.2c01366 Unchecked 1

Data from ChEMBL 36 via Core Engine