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Compound Detail

CHEMBL5841594

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N#CCC(C1CCN(c2cccc(Cl)n2)C1)n1cc(-c2ncnc3[nH]ccc23)cn1

Basic Information

ChEMBL ID CHEMBL5841594
Phase Preclinical
Structure Type MOL
InChI Key UHPOZFYNJIMRCT-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.9
MW (Da)
3.85
ALogP
7
HBA
1
HBD
99.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN8
MW 418.89
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.45

Activity Summary

IC50 6 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.52 6.52 300.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 6.52 6.028 300.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine