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Compound Detail

CHEMBL5760895

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COc1ccn2c(-c3cccc(NC4CNC4)n3)cnc2c1

Basic Information

ChEMBL ID CHEMBL5760895
Phase Preclinical
Structure Type MOL
InChI Key BKYXQWZUHDHNPF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
1.79
ALogP
6
HBA
2
HBD
63.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O
MW 295.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.06

Activity Summary

IC50 3 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.92 6.92 120.0 1
Unchecked
CHEMBL612545
IC50 6.92 6.92 120.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine