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Compound Detail

CHEMBL5176738

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

Basic Information

ChEMBL ID CHEMBL5176738
Phase Preclinical
Structure Type MOL
InChI Key RQGZFYTZDGTEOZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
1.56
ALogP
8
HBA
1
HBD
99.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N7O2
MW 363.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.79

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.89 7.89 13.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.37 6.37 428.0 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