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Compound Detail

CHEMBL6035885

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Cc1cc(Nc2ncc(-c3cnn(CCO)c3)c(NC3CCNCC3)n2)ccc1Cl

Basic Information

ChEMBL ID CHEMBL6035885
Phase Preclinical
Structure Type MOL
InChI Key WQIPRNUEYVQWKW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
3.20
ALogP
8
HBA
4
HBD
99.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN7O
MW 427.94
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.65

Activity Summary

IC50 3 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 7.32 7.32 48.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 7.23 7.23 59.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 4.97 4.97 10800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine