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Compound Detail

CHEMBL4469122

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CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C(=O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469122
Phase Preclinical
Structure Type MOL
InChI Key HPIAVVKKPDDMLG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
3.81
ALogP
8
HBA
4
HBD
159.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N8O4
MW 436.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 10.0 nM 8.0 Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues)... 27535613

Literature References

PubMed DOI Target Context # Activities
27535613 10.1021/acs.jmedchem.6b00604 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine