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Compound Detail

CHEMBL4063976

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Cc1cccc(NC(=O)Nc2ccc(C3CC(O)=Nc4[nH]nc(C)c43)cc2)c1

Basic Information

ChEMBL ID CHEMBL4063976
Phase Preclinical
Structure Type MOL
InChI Key FRIXDVCUSGTPAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.79
ALogP
3
HBA
4
HBD
102.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O2
MW 375.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.74 4.74 18325.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28541695 10.1021/acs.jmedchem.7b00468 Fibroblast growth factor receptor 1 1
28541695 10.1021/acs.jmedchem.7b00468 Platelet-derived growth factor receptor alpha 1
28541695 10.1021/acs.jmedchem.7b00468 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine