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Compound Detail

CHEMBL1784723

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CC(Sc1ccc2c3c(cccc13)C1=NC(=O)C(C#N)=C12)C1(C)CSCO1

Basic Information

ChEMBL ID CHEMBL1784723
Phase Preclinical
Structure Type MOL
InChI Key YREXMLYSGAVCFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.42
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.72
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 C21H16N2O2S2
MW 392.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21517068 10.1021/jm200258t Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine