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Compound Detail

CHEMBL1784729

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CCOC(=O)C1=C2C(=NC1=O)c1cccc3c(SCCc4cnccn4)ccc2c13

Basic Information

ChEMBL ID CHEMBL1784729
Phase Preclinical
Structure Type MOL
InChI Key XTUJRWNRJGZFHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.62
ALogP
6
HBA
0
HBD
81.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3O3S
MW 415.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.68 5.68 2100.0 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