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Compound Detail

CHEMBL5779126

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COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C#N)c1C1CN(CCO)C1

Basic Information

ChEMBL ID CHEMBL5779126
Phase Preclinical
Structure Type MOL
InChI Key ZYYBPQOUQVKJNI-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.9
MW (Da)
2.25
ALogP
9
HBA
2
HBD
126.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN7O2
MW 441.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.92

Activity Summary

IC50 4 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.12 6.12 750.0 2
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.12 6.12 750.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine