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Compound Detail

CHEMBL5751947

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C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccn1

Basic Information

ChEMBL ID CHEMBL5751947
Phase Preclinical
Structure Type MOL
InChI Key BJKUBWMSZKLDPY-SNVBAGLBSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.8
MW (Da)
2.86
ALogP
9
HBA
2
HBD
130.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN9
MW 391.83
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.62

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine