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Compound Detail

CHEMBL5768661

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Cn1cc(-c2ccc3ncc(-c4cccc(NC5CNC5)n4)n3c2)cn1

Basic Information

ChEMBL ID CHEMBL5768661
Phase Preclinical
Structure Type MOL
InChI Key QIZUSBVOVCVIIE-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.18
ALogP
7
HBA
2
HBD
72.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N7
MW 345.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.70

Activity Summary

IC50 4 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.67 6.67 213.0 1
Unchecked
CHEMBL612545
IC50 6.67 6.67 213.0 1
GTPase NRas
CHEMBL2079845
IC50 4.78 4.78 16630.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine