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Compound Detail

CHEMBL6026267

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Cc1cnc2cc([C@H](C)Nc3ncnc4[nH]ccc34)c(-c3ccccc3)nn12

Basic Information

ChEMBL ID CHEMBL6026267
Phase Preclinical
Structure Type MOL
InChI Key IKUXCEHBXSGOLN-AWEZNQCLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.15
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N7
MW 369.43
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.35

Activity Summary

IC50 2 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.22 8.22 6.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.46 6.46 343.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine