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Compound Detail

CHEMBL5189074

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CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)cnn23)c1

Basic Information

ChEMBL ID CHEMBL5189074
Phase Preclinical
Structure Type MOL
InChI Key QLRGZHSLCMSKID-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.16
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6O
MW 332.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.90

Activity Summary

IC50 3 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.66 7.415 22.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.04 6.04 918.0 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

Data from ChEMBL 36 via Core Engine