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Compound Detail

CHEMBL5286906

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CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(C)c5c4)[nH]n3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5286906
Phase Preclinical
Structure Type MOL
InChI Key JUROUXXKASRTES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.72
ALogP
6
HBA
3
HBD
90.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N7O
MW 429.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.12 8.12 7.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34550682 10.1021/acs.jmedchem.1c01196 Receptor-type tyrosine-protein kinase FLT3 1
34550682 10.1021/acs.jmedchem.1c01196 MV4-11 1

Data from ChEMBL 36 via Core Engine