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Compound Detail

CHEMBL2216873

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CC(=O)[N-]c1nc(C)c(-c2csc(C(=O)Nc3nnn[nH]3)n2)s1.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2216873
Phase Preclinical
Structure Type MOL
InChI Key LVWQRKFUGWZCGY-UHFFFAOYSA-M
Parent Compound CHEMBL2220371
Active Moiety CHEMBL2220371
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
1.30
ALogP
9
HBA
3
HBD
138.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9KN8O2S2
MW 388.48
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.56

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 13.0 nM 7.89 Inhibition of PI3Kdelta 22924688

Literature References

PubMed DOI Target Context # Activities
22924688 10.1021/jm300847w Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine