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Compound Detail

CHEMBL4082023

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COc1ccccc1-c1ncc(N[C@@H](CO)c2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1

Basic Information

ChEMBL ID CHEMBL4082023
Phase Preclinical
Structure Type MOL
InChI Key ZEBYXZHDTZMGNC-SANMLTNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
5.75
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N4O2
MW 450.54
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28714692 10.1021/acs.jmedchem.7b00076 Fibroblast growth factor receptor 2 1
28714692 10.1021/acs.jmedchem.7b00076 Fibroblast growth factor receptor 1 1
28714692 10.1021/acs.jmedchem.7b00076 Fibroblast growth factor receptor 3 1

Data from ChEMBL 36 via Core Engine