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Compound Detail

CHEMBL355436

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COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCCCN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355436
Phase Preclinical
Structure Type MOL
InChI Key KCKZQDGTIBXQNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.7
MW (Da)
8.33
ALogP
6
HBA
1
HBD
55.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H41N3O3
MW 539.72
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 2 IC50 = 350.0 nM 6.46 In vitro inhibition against autophosphorylation of Fibroblast growth factor rece... 15012985

Literature References

PubMed DOI Target Context # Activities
15012985 10.1016/j.bmcl.2003.12.019 Fibroblast growth factor receptor 2 1
15012985 10.1016/j.bmcl.2003.12.019 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine