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Compound Detail

CHEMBL5190948

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CNC(=O)c1cncc(-c2cnc3cc(-c4cnn(C)c4)c(OCCN(C)C)nn23)c1

Basic Information

ChEMBL ID CHEMBL5190948
Phase Preclinical
Structure Type MOL
InChI Key FRKAXDIDQXFEFR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
1.49
ALogP
9
HBA
1
HBD
102.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N8O2
MW 420.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.85

Activity Summary

IC50 2 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 6.61 6.61 247.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.38 6.38 415.0 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 1
36356320 10.1021/acs.jmedchem.2c01366 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine