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Compound Detail

CHEMBL4535664

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COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccccc4)n[nH]c3n2)c1Cl

Basic Information

ChEMBL ID CHEMBL4535664
Phase Preclinical
Structure Type MOL
InChI Key QOXHLMBFXQEXNL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.3
MW (Da)
5.20
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16Cl2N4O3
MW 443.29
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.37 7.37 42.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27326339 10.1021/acsmedchemlett.6b00066 Fibroblast growth factor receptor 1 1
27326339 10.1021/acsmedchemlett.6b00066 NCI-H1581 1

Data from ChEMBL 36 via Core Engine