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Compound Detail

CHEMBL1807482

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CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccc(NC(=O)Nc5ccccc5)c4)n[nH]3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL1807482
Phase Preclinical
Structure Type MOL
InChI Key PLNNYCJZUULCTJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
4.72
ALogP
5
HBA
4
HBD
105.4
PSA (Ų)
0.31
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 C28H29N7O2
MW 495.59
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21708468 10.1016/j.bmc.2011.06.016 Receptor-type tyrosine-protein kinase FLT3 1
21708468 10.1016/j.bmc.2011.06.016 MOLM-13 1

Data from ChEMBL 36 via Core Engine