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Compound Detail

CHEMBL5841270

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Cc1cccc2nc([C@H](C)Nc3ncnc(N)c3C#N)n(CCCN)c(=O)c12

Basic Information

ChEMBL ID CHEMBL5841270
Phase Preclinical
Structure Type MOL
InChI Key YAQASHRFWHNSND-LBPRGKRZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.47
ALogP
9
HBA
3
HBD
148.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N8O
MW 378.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.15 8.15 7.0 1
Phosphatidylinositol 3-kinase regulatory subunit beta
CHEMBL4437
IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine