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Compound Detail

CHEMBL5199231

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CNC(=O)c1cncc(-c2cnn3cc(-c4cnn(C)c4)c(OC4CCOC4)nc23)c1

Basic Information

ChEMBL ID CHEMBL5199231
Phase Preclinical
Structure Type MOL
InChI Key YYQDOAWXLMOOHX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
1.72
ALogP
9
HBA
1
HBD
108.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N7O3
MW 419.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.0 9.0 1.0 1
Fibroblast growth factor receptor 3
CHEMBL4066
IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36356320 10.1021/acs.jmedchem.2c01366 Cytochrome P450 3A4 2
36356320 10.1021/acs.jmedchem.2c01366 Fibroblast growth factor receptor 3 2
36356320 10.1021/acs.jmedchem.2c01366 ADMET 1
36356320 10.1021/acs.jmedchem.2c01366 Unchecked 1

Data from ChEMBL 36 via Core Engine