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Compound Detail

CHEMBL425876

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COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCOCC4)nc3nc2NC(=O)NC(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425876
Phase Preclinical
Structure Type MOL
InChI Key KWSRBEPOLXYHOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
3.76
ALogP
9
HBA
3
HBD
122.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37N7O4
MW 523.64
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor IC50 = 30.0 nM 7.52 Inhibition of Fibroblast growth factor receptor 15780636

Literature References

PubMed DOI Target Context # Activities
15780636 10.1016/j.bmcl.2005.01.079 Unchecked 1
15780636 10.1016/j.bmcl.2005.01.079 Fibroblast growth factor receptor 1

Data from ChEMBL 36 via Core Engine